Fast Simulation of Large-Scale Floods Based on GPU Parallel Computing
Qiang Liu; Yi Qin; Guodong Li
2018-01-01
Computing speed is a significant issue of large-scale flood simulations for real-time response to disaster prevention and mitigation. Even today, most of the large-scale flood simulations are generally run on supercomputers due to the massive amounts of data and computations necessary. In this work, a two-dimensional shallow water model based on an unstructured Godunov-type finite volume scheme was proposed for flood simulation. To realize a fast simulation of large-scale floods on a personal...
Large-scale computing techniques for complex system simulations
Dubitzky, Werner; Schott, Bernard
2012-01-01
Complex systems modeling and simulation approaches are being adopted in a growing number of sectors, including finance, economics, biology, astronomy, and many more. Technologies ranging from distributed computing to specialized hardware are explored and developed to address the computational requirements arising in complex systems simulations. The aim of this book is to present a representative overview of contemporary large-scale computing technologies in the context of complex systems simulations applications. The intention is to identify new research directions in this field and
Proceedings of the meeting on large scale computer simulation research
International Nuclear Information System (INIS)
2004-04-01
The meeting to summarize the collaboration activities for FY2003 on the Large Scale Computer Simulation Research was held January 15-16, 2004 at Theory and Computer Simulation Research Center, National Institute for Fusion Science. Recent simulation results, methodologies and other related topics were presented. (author)
Fast Simulation of Large-Scale Floods Based on GPU Parallel Computing
Directory of Open Access Journals (Sweden)
Qiang Liu
2018-05-01
Full Text Available Computing speed is a significant issue of large-scale flood simulations for real-time response to disaster prevention and mitigation. Even today, most of the large-scale flood simulations are generally run on supercomputers due to the massive amounts of data and computations necessary. In this work, a two-dimensional shallow water model based on an unstructured Godunov-type finite volume scheme was proposed for flood simulation. To realize a fast simulation of large-scale floods on a personal computer, a Graphics Processing Unit (GPU-based, high-performance computing method using the OpenACC application was adopted to parallelize the shallow water model. An unstructured data management method was presented to control the data transportation between the GPU and CPU (Central Processing Unit with minimum overhead, and then both computation and data were offloaded from the CPU to the GPU, which exploited the computational capability of the GPU as much as possible. The parallel model was validated using various benchmarks and real-world case studies. The results demonstrate that speed-ups of up to one order of magnitude can be achieved in comparison with the serial model. The proposed parallel model provides a fast and reliable tool with which to quickly assess flood hazards in large-scale areas and, thus, has a bright application prospect for dynamic inundation risk identification and disaster assessment.
Large scale particle simulations in a virtual memory computer
International Nuclear Information System (INIS)
Gray, P.C.; Million, R.; Wagner, J.S.; Tajima, T.
1983-01-01
Virtual memory computers are capable of executing large-scale particle simulations even when the memory requirements exceeds the computer core size. The required address space is automatically mapped onto slow disc memory the the operating system. When the simulation size is very large, frequent random accesses to slow memory occur during the charge accumulation and particle pushing processes. Assesses to slow memory significantly reduce the excecution rate of the simulation. We demonstrate in this paper that with the proper choice of sorting algorithm, a nominal amount of sorting to keep physically adjacent particles near particles with neighboring array indices can reduce random access to slow memory, increase the efficiency of the I/O system, and hence, reduce the required computing time. (orig.)
Large-scale particle simulations in a virtual-memory computer
International Nuclear Information System (INIS)
Gray, P.C.; Wagner, J.S.; Tajima, T.; Million, R.
1982-08-01
Virtual memory computers are capable of executing large-scale particle simulations even when the memory requirements exceed the computer core size. The required address space is automatically mapped onto slow disc memory by the operating system. When the simulation size is very large, frequent random accesses to slow memory occur during the charge accumulation and particle pushing processes. Accesses to slow memory significantly reduce the execution rate of the simulation. We demonstrate in this paper that with the proper choice of sorting algorithm, a nominal amount of sorting to keep physically adjacent particles near particles with neighboring array indices can reduce random access to slow memory, increase the efficiency of the I/O system, and hence, reduce the required computing time
The TeraShake Computational Platform for Large-Scale Earthquake Simulations
Cui, Yifeng; Olsen, Kim; Chourasia, Amit; Moore, Reagan; Maechling, Philip; Jordan, Thomas
Geoscientific and computer science researchers with the Southern California Earthquake Center (SCEC) are conducting a large-scale, physics-based, computationally demanding earthquake system science research program with the goal of developing predictive models of earthquake processes. The computational demands of this program continue to increase rapidly as these researchers seek to perform physics-based numerical simulations of earthquake processes for larger meet the needs of this research program, a multiple-institution team coordinated by SCEC has integrated several scientific codes into a numerical modeling-based research tool we call the TeraShake computational platform (TSCP). A central component in the TSCP is a highly scalable earthquake wave propagation simulation program called the TeraShake anelastic wave propagation (TS-AWP) code. In this chapter, we describe how we extended an existing, stand-alone, wellvalidated, finite-difference, anelastic wave propagation modeling code into the highly scalable and widely used TS-AWP and then integrated this code into the TeraShake computational platform that provides end-to-end (initialization to analysis) research capabilities. We also describe the techniques used to enhance the TS-AWP parallel performance on TeraGrid supercomputers, as well as the TeraShake simulations phases including input preparation, run time, data archive management, and visualization. As a result of our efforts to improve its parallel efficiency, the TS-AWP has now shown highly efficient strong scaling on over 40K processors on IBM’s BlueGene/L Watson computer. In addition, the TSCP has developed into a computational system that is useful to many members of the SCEC community for performing large-scale earthquake simulations.
Application of parallel computing techniques to a large-scale reservoir simulation
International Nuclear Information System (INIS)
Zhang, Keni; Wu, Yu-Shu; Ding, Chris; Pruess, Karsten
2001-01-01
Even with the continual advances made in both computational algorithms and computer hardware used in reservoir modeling studies, large-scale simulation of fluid and heat flow in heterogeneous reservoirs remains a challenge. The problem commonly arises from intensive computational requirement for detailed modeling investigations of real-world reservoirs. This paper presents the application of a massive parallel-computing version of the TOUGH2 code developed for performing large-scale field simulations. As an application example, the parallelized TOUGH2 code is applied to develop a three-dimensional unsaturated-zone numerical model simulating flow of moisture, gas, and heat in the unsaturated zone of Yucca Mountain, Nevada, a potential repository for high-level radioactive waste. The modeling approach employs refined spatial discretization to represent the heterogeneous fractured tuffs of the system, using more than a million 3-D gridblocks. The problem of two-phase flow and heat transfer within the model domain leads to a total of 3,226,566 linear equations to be solved per Newton iteration. The simulation is conducted on a Cray T3E-900, a distributed-memory massively parallel computer. Simulation results indicate that the parallel computing technique, as implemented in the TOUGH2 code, is very efficient. The reliability and accuracy of the model results have been demonstrated by comparing them to those of small-scale (coarse-grid) models. These comparisons show that simulation results obtained with the refined grid provide more detailed predictions of the future flow conditions at the site, aiding in the assessment of proposed repository performance
Large-scale simulations of error-prone quantum computation devices
International Nuclear Information System (INIS)
Trieu, Doan Binh
2009-01-01
The theoretical concepts of quantum computation in the idealized and undisturbed case are well understood. However, in practice, all quantum computation devices do suffer from decoherence effects as well as from operational imprecisions. This work assesses the power of error-prone quantum computation devices using large-scale numerical simulations on parallel supercomputers. We present the Juelich Massively Parallel Ideal Quantum Computer Simulator (JUMPIQCS), that simulates a generic quantum computer on gate level. It comprises an error model for decoherence and operational errors. The robustness of various algorithms in the presence of noise has been analyzed. The simulation results show that for large system sizes and long computations it is imperative to actively correct errors by means of quantum error correction. We implemented the 5-, 7-, and 9-qubit quantum error correction codes. Our simulations confirm that using error-prone correction circuits with non-fault-tolerant quantum error correction will always fail, because more errors are introduced than being corrected. Fault-tolerant methods can overcome this problem, provided that the single qubit error rate is below a certain threshold. We incorporated fault-tolerant quantum error correction techniques into JUMPIQCS using Steane's 7-qubit code and determined this threshold numerically. Using the depolarizing channel as the source of decoherence, we find a threshold error rate of (5.2±0.2) x 10 -6 . For Gaussian distributed operational over-rotations the threshold lies at a standard deviation of 0.0431±0.0002. We can conclude that quantum error correction is especially well suited for the correction of operational imprecisions and systematic over-rotations. For realistic simulations of specific quantum computation devices we need to extend the generic model to dynamic simulations, i.e. time-dependent Hamiltonian simulations of realistic hardware models. We focus on today's most advanced technology, i
Large-scale simulations of error-prone quantum computation devices
Energy Technology Data Exchange (ETDEWEB)
Trieu, Doan Binh
2009-07-01
The theoretical concepts of quantum computation in the idealized and undisturbed case are well understood. However, in practice, all quantum computation devices do suffer from decoherence effects as well as from operational imprecisions. This work assesses the power of error-prone quantum computation devices using large-scale numerical simulations on parallel supercomputers. We present the Juelich Massively Parallel Ideal Quantum Computer Simulator (JUMPIQCS), that simulates a generic quantum computer on gate level. It comprises an error model for decoherence and operational errors. The robustness of various algorithms in the presence of noise has been analyzed. The simulation results show that for large system sizes and long computations it is imperative to actively correct errors by means of quantum error correction. We implemented the 5-, 7-, and 9-qubit quantum error correction codes. Our simulations confirm that using error-prone correction circuits with non-fault-tolerant quantum error correction will always fail, because more errors are introduced than being corrected. Fault-tolerant methods can overcome this problem, provided that the single qubit error rate is below a certain threshold. We incorporated fault-tolerant quantum error correction techniques into JUMPIQCS using Steane's 7-qubit code and determined this threshold numerically. Using the depolarizing channel as the source of decoherence, we find a threshold error rate of (5.2{+-}0.2) x 10{sup -6}. For Gaussian distributed operational over-rotations the threshold lies at a standard deviation of 0.0431{+-}0.0002. We can conclude that quantum error correction is especially well suited for the correction of operational imprecisions and systematic over-rotations. For realistic simulations of specific quantum computation devices we need to extend the generic model to dynamic simulations, i.e. time-dependent Hamiltonian simulations of realistic hardware models. We focus on today's most advanced
Cerebral methodology based computing to estimate real phenomena from large-scale nuclear simulation
International Nuclear Information System (INIS)
Suzuki, Yoshio
2011-01-01
Our final goal is to estimate real phenomena from large-scale nuclear simulations by using computing processes. Large-scale simulations mean that they include scale variety and physical complexity so that corresponding experiments and/or theories do not exist. In nuclear field, it is indispensable to estimate real phenomena from simulations in order to improve the safety and security of nuclear power plants. Here, the analysis of uncertainty included in simulations is needed to reveal sensitivity of uncertainty due to randomness, to reduce the uncertainty due to lack of knowledge and to lead a degree of certainty by verification and validation (V and V) and uncertainty quantification (UQ) processes. To realize this, we propose 'Cerebral Methodology based Computing (CMC)' as computing processes with deductive and inductive approaches by referring human reasoning processes. Our idea is to execute deductive and inductive simulations contrasted with deductive and inductive approaches. We have established its prototype system and applied it to a thermal displacement analysis of a nuclear power plant. The result shows that our idea is effective to reduce the uncertainty and to get the degree of certainty. (author)
Large Scale Beam-beam Simulations for the CERN LHC using Distributed Computing
Herr, Werner; McIntosh, E; Schmidt, F
2006-01-01
We report on a large scale simulation of beam-beam effects for the CERN Large Hadron Collider (LHC). The stability of particles which experience head-on and long-range beam-beam effects was investigated for different optical configurations and machine imperfections. To cover the interesting parameter space required computing resources not available at CERN. The necessary resources were available in the LHC@home project, based on the BOINC platform. At present, this project makes more than 60000 hosts available for distributed computing. We shall discuss our experience using this system during a simulation campaign of more than six months and describe the tools and procedures necessary to ensure consistent results. The results from this extended study are presented and future plans are discussed.
Learning from large scale neural simulations
DEFF Research Database (Denmark)
Serban, Maria
2017-01-01
Large-scale neural simulations have the marks of a distinct methodology which can be fruitfully deployed to advance scientific understanding of the human brain. Computer simulation studies can be used to produce surrogate observational data for better conceptual models and new how...
Lightweight computational steering of very large scale molecular dynamics simulations
International Nuclear Information System (INIS)
Beazley, D.M.
1996-01-01
We present a computational steering approach for controlling, analyzing, and visualizing very large scale molecular dynamics simulations involving tens to hundreds of millions of atoms. Our approach relies on extensible scripting languages and an easy to use tool for building extensions and modules. The system is extremely easy to modify, works with existing C code, is memory efficient, and can be used from inexpensive workstations and networks. We demonstrate how we have used this system to manipulate data from production MD simulations involving as many as 104 million atoms running on the CM-5 and Cray T3D. We also show how this approach can be used to build systems that integrate common scripting languages (including Tcl/Tk, Perl, and Python), simulation code, user extensions, and commercial data analysis packages
Large-scale computing with Quantum Espresso
International Nuclear Information System (INIS)
Giannozzi, P.; Cavazzoni, C.
2009-01-01
This paper gives a short introduction to Quantum Espresso: a distribution of software for atomistic simulations in condensed-matter physics, chemical physics, materials science, and to its usage in large-scale parallel computing.
A Web-based Distributed Voluntary Computing Platform for Large Scale Hydrological Computations
Demir, I.; Agliamzanov, R.
2014-12-01
Distributed volunteer computing can enable researchers and scientist to form large parallel computing environments to utilize the computing power of the millions of computers on the Internet, and use them towards running large scale environmental simulations and models to serve the common good of local communities and the world. Recent developments in web technologies and standards allow client-side scripting languages to run at speeds close to native application, and utilize the power of Graphics Processing Units (GPU). Using a client-side scripting language like JavaScript, we have developed an open distributed computing framework that makes it easy for researchers to write their own hydrologic models, and run them on volunteer computers. Users will easily enable their websites for visitors to volunteer sharing their computer resources to contribute running advanced hydrological models and simulations. Using a web-based system allows users to start volunteering their computational resources within seconds without installing any software. The framework distributes the model simulation to thousands of nodes in small spatial and computational sizes. A relational database system is utilized for managing data connections and queue management for the distributed computing nodes. In this paper, we present a web-based distributed volunteer computing platform to enable large scale hydrological simulations and model runs in an open and integrated environment.
Energy Technology Data Exchange (ETDEWEB)
NONE
2003-03-01
Joint meeting of the 6th Simulation Science Symposium and the NIFS Collaboration Research 'Large Scale Computer Simulation' was held on December 12-13, 2002 at National Institute for Fusion Science, with the aim of promoting interdisciplinary collaborations in various fields of computer simulations. The present meeting attended by more than 40 people consists of the 11 invited and 22 contributed papers, of which topics were extended not only to fusion science but also to related fields such as astrophysics, earth science, fluid dynamics, molecular dynamics, computer science etc. (author)
Large-scale simulations with distributed computing: Asymptotic scaling of ballistic deposition
International Nuclear Information System (INIS)
Farnudi, Bahman; Vvedensky, Dimitri D
2011-01-01
Extensive kinetic Monte Carlo simulations are reported for ballistic deposition (BD) in (1 + 1) dimensions. The large system sizes L observed for the onset of asymptotic scaling (L ≅ 2 12 ) explains the widespread discrepancies in previous reports for exponents of BD in one and likely in higher dimensions. The exponents obtained directly from our simulations, α = 0.499 ± 0.004 and β = 0.336 ± 0.004, capture the exact values α = 1/2 and β = 1/3 for the one-dimensional Kardar-Parisi-Zhang equation. An analysis of our simulations suggests a criterion for identifying the onset of true asymptotic scaling, which enables a more informed evaluation of exponents for BD in higher dimensions. These simulations were made possible by the Simulation through Social Networking project at the Institute for Advanced Studies in Basic Sciences in 2007, which was re-launched in November 2010.
A large-scale computer facility for computational aerodynamics
International Nuclear Information System (INIS)
Bailey, F.R.; Balhaus, W.F.
1985-01-01
The combination of computer system technology and numerical modeling have advanced to the point that computational aerodynamics has emerged as an essential element in aerospace vehicle design methodology. To provide for further advances in modeling of aerodynamic flow fields, NASA has initiated at the Ames Research Center the Numerical Aerodynamic Simulation (NAS) Program. The objective of the Program is to develop a leading-edge, large-scale computer facility, and make it available to NASA, DoD, other Government agencies, industry and universities as a necessary element in ensuring continuing leadership in computational aerodynamics and related disciplines. The Program will establish an initial operational capability in 1986 and systematically enhance that capability by incorporating evolving improvements in state-of-the-art computer system technologies as required to maintain a leadership role. This paper briefly reviews the present and future requirements for computational aerodynamics and discusses the Numerical Aerodynamic Simulation Program objectives, computational goals, and implementation plans
National Aeronautics and Space Administration — Development of computational infrastructure to support hyper-resolution large-ensemble hydrology simulations from local-to-continental scales A move is currently...
Large-scale Intelligent Transporation Systems simulation
Energy Technology Data Exchange (ETDEWEB)
Ewing, T.; Canfield, T.; Hannebutte, U.; Levine, D.; Tentner, A.
1995-06-01
A prototype computer system has been developed which defines a high-level architecture for a large-scale, comprehensive, scalable simulation of an Intelligent Transportation System (ITS) capable of running on massively parallel computers and distributed (networked) computer systems. The prototype includes the modelling of instrumented ``smart`` vehicles with in-vehicle navigation units capable of optimal route planning and Traffic Management Centers (TMC). The TMC has probe vehicle tracking capabilities (display position and attributes of instrumented vehicles), and can provide 2-way interaction with traffic to provide advisories and link times. Both the in-vehicle navigation module and the TMC feature detailed graphical user interfaces to support human-factors studies. The prototype has been developed on a distributed system of networked UNIX computers but is designed to run on ANL`s IBM SP-X parallel computer system for large scale problems. A novel feature of our design is that vehicles will be represented by autonomus computer processes, each with a behavior model which performs independent route selection and reacts to external traffic events much like real vehicles. With this approach, one will be able to take advantage of emerging massively parallel processor (MPP) systems.
Energy Technology Data Exchange (ETDEWEB)
NONE
2003-03-01
Joint meeting of the 6th Simulation Science Symposium and the NIFS Collaboration Research 'Large Scale Computer Simulation' was held on December 12-13, 2002 at National Institute for Fusion Science, with the aim of promoting interdisciplinary collaborations in various fields of computer simulations. The present meeting attended by more than 40 people consists of the 11 invited and 22 contributed papers, of which topics were extended not only to fusion science but also to related fields such as astrophysics, earth science, fluid dynamics, molecular dynamics, computer science etc. (author)
Shrekenhamer, Abraham; Gottesman, Stephen R.
2012-10-01
A novel and memory efficient method for computing diffraction patterns produced on large-scale focal planes by largescale Coded Apertures at wavelengths where diffraction effects are significant has been developed and tested. The scheme, readily implementable on portable computers, overcomes the memory limitations of present state-of-the-art simulation codes such as Zemax. The method consists of first calculating a set of reference complex field (amplitude and phase) patterns on the focal plane produced by a single (reference) central hole, extending to twice the focal plane array size, with one such pattern for each Line-of-Sight (LOS) direction and wavelength in the scene, and with the pattern amplitude corresponding to the square-root of the spectral irradiance from each such LOS direction in the scene at selected wavelengths. Next the set of reference patterns is transformed to generate pattern sets for other holes. The transformation consists of a translational pattern shift corresponding to each hole's position offset and an electrical phase shift corresponding to each hole's position offset and incoming radiance's direction and wavelength. The set of complex patterns for each direction and wavelength is then summed coherently and squared for each detector to yield a set of power patterns unique for each direction and wavelength. Finally the set of power patterns is summed to produce the full waveband diffraction pattern from the scene. With this tool researchers can now efficiently simulate diffraction patterns produced from scenes by large-scale Coded Apertures onto large-scale focal plane arrays to support the development and optimization of coded aperture masks and image reconstruction algorithms.
NASA's Information Power Grid: Large Scale Distributed Computing and Data Management
Johnston, William E.; Vaziri, Arsi; Hinke, Tom; Tanner, Leigh Ann; Feiereisen, William J.; Thigpen, William; Tang, Harry (Technical Monitor)
2001-01-01
Large-scale science and engineering are done through the interaction of people, heterogeneous computing resources, information systems, and instruments, all of which are geographically and organizationally dispersed. The overall motivation for Grids is to facilitate the routine interactions of these resources in order to support large-scale science and engineering. Multi-disciplinary simulations provide a good example of a class of applications that are very likely to require aggregation of widely distributed computing, data, and intellectual resources. Such simulations - e.g. whole system aircraft simulation and whole system living cell simulation - require integrating applications and data that are developed by different teams of researchers frequently in different locations. The research team's are the only ones that have the expertise to maintain and improve the simulation code and/or the body of experimental data that drives the simulations. This results in an inherently distributed computing and data management environment.
Computing the universe: how large-scale simulations illuminate galaxies and dark energy
O'Shea, Brian
2015-04-01
High-performance and large-scale computing is absolutely to understanding astronomical objects such as stars, galaxies, and the cosmic web. This is because these are structures that operate on physical, temporal, and energy scales that cannot be reasonably approximated in the laboratory, and whose complexity and nonlinearity often defies analytic modeling. In this talk, I show how the growth of computing platforms over time has facilitated our understanding of astrophysical and cosmological phenomena, focusing primarily on galaxies and large-scale structure in the Universe.
Distributed simulation of large computer systems
International Nuclear Information System (INIS)
Marzolla, M.
2001-01-01
Sequential simulation of large complex physical systems is often regarded as a computationally expensive task. In order to speed-up complex discrete-event simulations, the paradigm of Parallel and Distributed Discrete Event Simulation (PDES) has been introduced since the late 70s. The authors analyze the applicability of PDES to the modeling and analysis of large computer system; such systems are increasingly common in the area of High Energy and Nuclear Physics, because many modern experiments make use of large 'compute farms'. Some feasibility tests have been performed on a prototype distributed simulator
Large-scale simulations of plastic neural networks on neuromorphic hardware
Directory of Open Access Journals (Sweden)
James Courtney Knight
2016-04-01
Full Text Available SpiNNaker is a digital, neuromorphic architecture designed for simulating large-scale spiking neural networks at speeds close to biological real-time. Rather than using bespoke analog or digital hardware, the basic computational unit of a SpiNNaker system is a general-purpose ARM processor, allowing it to be programmed to simulate a wide variety of neuron and synapse models. This flexibility is particularly valuable in the study of biological plasticity phenomena. A recently proposed learning rule based on the Bayesian Confidence Propagation Neural Network (BCPNN paradigm offers a generic framework for modeling the interaction of different plasticity mechanisms using spiking neurons. However, it can be computationally expensive to simulate large networks with BCPNN learning since it requires multiple state variables for each synapse, each of which needs to be updated every simulation time-step. We discuss the trade-offs in efficiency and accuracy involved in developing an event-based BCPNN implementation for SpiNNaker based on an analytical solution to the BCPNN equations, and detail the steps taken to fit this within the limited computational and memory resources of the SpiNNaker architecture. We demonstrate this learning rule by learning temporal sequences of neural activity within a recurrent attractor network which we simulate at scales of up to 20000 neurons and 51200000 plastic synapses: the largest plastic neural network ever to be simulated on neuromorphic hardware. We also run a comparable simulation on a Cray XC-30 supercomputer system and find that, if it is to match the run-time of our SpiNNaker simulation, the super computer system uses approximately more power. This suggests that cheaper, more power efficient neuromorphic systems are becoming useful discovery tools in the study of plasticity in large-scale brain models.
Accelerating large-scale phase-field simulations with GPU
Directory of Open Access Journals (Sweden)
Xiaoming Shi
2017-10-01
Full Text Available A new package for accelerating large-scale phase-field simulations was developed by using GPU based on the semi-implicit Fourier method. The package can solve a variety of equilibrium equations with different inhomogeneity including long-range elastic, magnetostatic, and electrostatic interactions. Through using specific algorithm in Compute Unified Device Architecture (CUDA, Fourier spectral iterative perturbation method was integrated in GPU package. The Allen-Cahn equation, Cahn-Hilliard equation, and phase-field model with long-range interaction were solved based on the algorithm running on GPU respectively to test the performance of the package. From the comparison of the calculation results between the solver executed in single CPU and the one on GPU, it was found that the speed on GPU is enormously elevated to 50 times faster. The present study therefore contributes to the acceleration of large-scale phase-field simulations and provides guidance for experiments to design large-scale functional devices.
Remote collaboration system based on large scale simulation
International Nuclear Information System (INIS)
Kishimoto, Yasuaki; Sugahara, Akihiro; Li, J.Q.
2008-01-01
Large scale simulation using super-computer, which generally requires long CPU time and produces large amount of data, has been extensively studied as a third pillar in various advanced science fields in parallel to theory and experiment. Such a simulation is expected to lead new scientific discoveries through elucidation of various complex phenomena, which are hardly identified only by conventional theoretical and experimental approaches. In order to assist such large simulation studies for which many collaborators working at geographically different places participate and contribute, we have developed a unique remote collaboration system, referred to as SIMON (simulation monitoring system), which is based on client-server system control introducing an idea of up-date processing, contrary to that of widely used post-processing. As a key ingredient, we have developed a trigger method, which transmits various requests for the up-date processing from the simulation (client) running on a super-computer to a workstation (server). Namely, the simulation running on a super-computer actively controls the timing of up-date processing. The server that has received the requests from the ongoing simulation such as data transfer, data analyses, and visualizations, etc. starts operations according to the requests during the simulation. The server makes the latest results available to web browsers, so that the collaborators can monitor the results at any place and time in the world. By applying the system to a specific simulation project of laser-matter interaction, we have confirmed that the system works well and plays an important role as a collaboration platform on which many collaborators work with one another
Commercial applications of large-scale Research and Development computer simulation technologies
International Nuclear Information System (INIS)
Kuok Mee Ling; Pascal Chen; Wen Ho Lee
1998-01-01
The potential commercial applications of two large-scale R and D computer simulation technologies are presented. One such technology is based on the numerical solution of the hydrodynamics equations, and is embodied in the two-dimensional Eulerian code EULE2D, which solves the hydrodynamic equations with various models for the equation of state (EOS), constitutive relations and fracture mechanics. EULE2D is an R and D code originally developed to design and analyze conventional munitions for anti-armor penetrations such as shaped charges, explosive formed projectiles, and kinetic energy rods. Simulated results agree very well with actual experiments. A commercial application presented here is the design and simulation of shaped charges for oil and gas well bore perforation. The other R and D simulation technology is based on the numerical solution of Maxwell's partial differential equations of electromagnetics in space and time, and is implemented in the three-dimensional code FDTD-SPICE, which solves Maxwell's equations in the time domain with finite-differences in the three spatial dimensions and calls SPICE for information when nonlinear active devices are involved. The FDTD method has been used in the radar cross-section modeling of military aircrafts and many other electromagnetic phenomena. The coupling of FDTD method with SPICE, a popular circuit and device simulation program, provides a powerful tool for the simulation and design of microwave and millimeter-wave circuits containing nonlinear active semiconductor devices. A commercial application of FDTD-SPICE presented here is the simulation of a two-element active antenna system. The simulation results and the experimental measurements are in excellent agreement. (Author)
Large-scale ground motion simulation using GPGPU
Aoi, S.; Maeda, T.; Nishizawa, N.; Aoki, T.
2012-12-01
Huge computation resources are required to perform large-scale ground motion simulations using 3-D finite difference method (FDM) for realistic and complex models with high accuracy. Furthermore, thousands of various simulations are necessary to evaluate the variability of the assessment caused by uncertainty of the assumptions of the source models for future earthquakes. To conquer the problem of restricted computational resources, we introduced the use of GPGPU (General purpose computing on graphics processing units) which is the technique of using a GPU as an accelerator of the computation which has been traditionally conducted by the CPU. We employed the CPU version of GMS (Ground motion Simulator; Aoi et al., 2004) as the original code and implemented the function for GPU calculation using CUDA (Compute Unified Device Architecture). GMS is a total system for seismic wave propagation simulation based on 3-D FDM scheme using discontinuous grids (Aoi&Fujiwara, 1999), which includes the solver as well as the preprocessor tools (parameter generation tool) and postprocessor tools (filter tool, visualization tool, and so on). The computational model is decomposed in two horizontal directions and each decomposed model is allocated to a different GPU. We evaluated the performance of our newly developed GPU version of GMS on the TSUBAME2.0 which is one of the Japanese fastest supercomputer operated by the Tokyo Institute of Technology. First we have performed a strong scaling test using the model with about 22 million grids and achieved 3.2 and 7.3 times of the speed-up by using 4 and 16 GPUs. Next, we have examined a weak scaling test where the model sizes (number of grids) are increased in proportion to the degree of parallelism (number of GPUs). The result showed almost perfect linearity up to the simulation with 22 billion grids using 1024 GPUs where the calculation speed reached to 79.7 TFlops and about 34 times faster than the CPU calculation using the same number
Direct Computation of Sound Radiation by Jet Flow Using Large-scale Equations
Mankbadi, R. R.; Shih, S. H.; Hixon, D. R.; Povinelli, L. A.
1995-01-01
Jet noise is directly predicted using large-scale equations. The computational domain is extended in order to directly capture the radiated field. As in conventional large-eddy-simulations, the effect of the unresolved scales on the resolved ones is accounted for. Special attention is given to boundary treatment to avoid spurious modes that can render the computed fluctuations totally unacceptable. Results are presented for a supersonic jet at Mach number 2.1.
Towards an integrated multiscale simulation of turbulent clouds on PetaScale computers
International Nuclear Information System (INIS)
Wang Lianping; Ayala, Orlando; Parishani, Hossein; Gao, Guang R; Kambhamettu, Chandra; Li Xiaoming; Rossi, Louis; Orozco, Daniel; Torres, Claudio; Grabowski, Wojciech W; Wyszogrodzki, Andrzej A; Piotrowski, Zbigniew
2011-01-01
The development of precipitating warm clouds is affected by several effects of small-scale air turbulence including enhancement of droplet-droplet collision rate by turbulence, entrainment and mixing at the cloud edges, and coupling of mechanical and thermal energies at various scales. Large-scale computation is a viable research tool for quantifying these multiscale processes. Specifically, top-down large-eddy simulations (LES) of shallow convective clouds typically resolve scales of turbulent energy-containing eddies while the effects of turbulent cascade toward viscous dissipation are parameterized. Bottom-up hybrid direct numerical simulations (HDNS) of cloud microphysical processes resolve fully the dissipation-range flow scales but only partially the inertial subrange scales. it is desirable to systematically decrease the grid length in LES and increase the domain size in HDNS so that they can be better integrated to address the full range of scales and their coupling. In this paper, we discuss computational issues and physical modeling questions in expanding the ranges of scales realizable in LES and HDNS, and in bridging LES and HDNS. We review our on-going efforts in transforming our simulation codes towards PetaScale computing, in improving physical representations in LES and HDNS, and in developing better methods to analyze and interpret the simulation results.
Implementation of Grid-computing Framework for Simulation in Multi-scale Structural Analysis
Directory of Open Access Journals (Sweden)
Data Iranata
2010-05-01
Full Text Available A new grid-computing framework for simulation in multi-scale structural analysis is presented. Two levels of parallel processing will be involved in this framework: multiple local distributed computing environments connected by local network to form a grid-based cluster-to-cluster distributed computing environment. To successfully perform the simulation, a large-scale structural system task is decomposed into the simulations of a simplified global model and several detailed component models using various scales. These correlated multi-scale structural system tasks are distributed among clusters and connected together in a multi-level hierarchy and then coordinated over the internet. The software framework for supporting the multi-scale structural simulation approach is also presented. The program architecture design allows the integration of several multi-scale models as clients and servers under a single platform. To check its feasibility, a prototype software system has been designed and implemented to perform the proposed concept. The simulation results show that the software framework can increase the speedup performance of the structural analysis. Based on this result, the proposed grid-computing framework is suitable to perform the simulation of the multi-scale structural analysis.
Large Scale Computations in Air Pollution Modelling
DEFF Research Database (Denmark)
Zlatev, Z.; Brandt, J.; Builtjes, P. J. H.
Proceedings of the NATO Advanced Research Workshop on Large Scale Computations in Air Pollution Modelling, Sofia, Bulgaria, 6-10 July 1998......Proceedings of the NATO Advanced Research Workshop on Large Scale Computations in Air Pollution Modelling, Sofia, Bulgaria, 6-10 July 1998...
Computer simulations for the nano-scale
International Nuclear Information System (INIS)
Stich, I.
2007-01-01
A review of methods for computations for the nano-scale is presented. The paper should provide a convenient starting point into computations for the nano-scale as well as a more in depth presentation for those already working in the field of atomic/molecular-scale modeling. The argument is divided in chapters covering the methods for description of the (i) electrons, (ii) ions, and (iii) techniques for efficient solving of the underlying equations. A fairly broad view is taken covering the Hartree-Fock approximation, density functional techniques and quantum Monte-Carlo techniques for electrons. The customary quantum chemistry methods, such as post Hartree-Fock techniques, are only briefly mentioned. Description of both classical and quantum ions is presented. The techniques cover Ehrenfest, Born-Oppenheimer, and Car-Parrinello dynamics. The strong and weak points of both principal and technical nature are analyzed. In the second part we introduce a number of applications to demonstrate the different approximations and techniques introduced in the first part. They cover a wide range of applications such as non-simple liquids, surfaces, molecule-surface interactions, applications in nano technology, etc. These more in depth presentations, while certainly not exhaustive, should provide information on technical aspects of the simulations, typical parameters used, and ways of analysis of the huge amounts of data generated in these large-scale supercomputer simulations. (author)
Large scale cluster computing workshop
International Nuclear Information System (INIS)
Dane Skow; Alan Silverman
2002-01-01
Recent revolutions in computer hardware and software technologies have paved the way for the large-scale deployment of clusters of commodity computers to address problems heretofore the domain of tightly coupled SMP processors. Near term projects within High Energy Physics and other computing communities will deploy clusters of scale 1000s of processors and be used by 100s to 1000s of independent users. This will expand the reach in both dimensions by an order of magnitude from the current successful production facilities. The goals of this workshop were: (1) to determine what tools exist which can scale up to the cluster sizes foreseen for the next generation of HENP experiments (several thousand nodes) and by implication to identify areas where some investment of money or effort is likely to be needed. (2) To compare and record experimences gained with such tools. (3) To produce a practical guide to all stages of planning, installing, building and operating a large computing cluster in HENP. (4) To identify and connect groups with similar interest within HENP and the larger clustering community
Large-scale simulation of ductile fracture process of microstructured materials
International Nuclear Information System (INIS)
Tian Rong; Wang Chaowei
2011-01-01
The promise of computational science in the extreme-scale computing era is to reduce and decompose macroscopic complexities into microscopic simplicities with the expense of high spatial and temporal resolution of computing. In materials science and engineering, the direct combination of 3D microstructure data sets and 3D large-scale simulations provides unique opportunity for the development of a comprehensive understanding of nano/microstructure-property relationships in order to systematically design materials with specific desired properties. In the paper, we present a framework simulating the ductile fracture process zone in microstructural detail. The experimentally reconstructed microstructural data set is directly embedded into a FE mesh model to improve the simulation fidelity of microstructure effects on fracture toughness. To the best of our knowledge, it is for the first time that the linking of fracture toughness to multiscale microstructures in a realistic 3D numerical model in a direct manner is accomplished. (author)
Large scale statistics for computational verification of grain growth simulations with experiments
International Nuclear Information System (INIS)
Demirel, Melik C.; Kuprat, Andrew P.; George, Denise C.; Straub, G.K.; Misra, Amit; Alexander, Kathleen B.; Rollett, Anthony D.
2002-01-01
It is known that by controlling microstructural development, desirable properties of materials can be achieved. The main objective of our research is to understand and control interface dominated material properties, and finally, to verify experimental results with computer simulations. We have previously showed a strong similarity between small-scale grain growth experiments and anisotropic three-dimensional simulations obtained from the Electron Backscattered Diffraction (EBSD) measurements. Using the same technique, we obtained 5170-grain data from an Aluminum-film (120 (micro)m thick) with a columnar grain structure. Experimentally obtained starting microstructure and grain boundary properties are input for the three-dimensional grain growth simulation. In the computational model, minimization of the interface energy is the driving force for the grain boundary motion. The computed evolved microstructure is compared with the final experimental microstructure, after annealing at 550 C. Characterization of the structures and properties of grain boundary networks (GBN) to produce desirable microstructures is one of the fundamental problems in interface science. There is an ongoing research for the development of new experimental and analytical techniques in order to obtain and synthesize information related to GBN. The grain boundary energy and mobility data were characterized by Electron Backscattered Diffraction (EBSD) technique and Atomic Force Microscopy (AFM) observations (i.e., for ceramic MgO and for the metal Al). Grain boundary energies are extracted from triple junction (TJ) geometry considering the local equilibrium condition at TJ's. Relative boundary mobilities were also extracted from TJ's through a statistical/multiscale analysis. Additionally, there are recent theoretical developments of grain boundary evolution in microstructures. In this paper, a new technique for three-dimensional grain growth simulations was used to simulate interface migration
Large scale computing in theoretical physics: Example QCD
International Nuclear Information System (INIS)
Schilling, K.
1986-01-01
The limitations of the classical mathematical analysis of Newton and Leibniz appear to be more and more overcome by the power of modern computers. Large scale computing techniques - which resemble closely the methods used in simulations within statistical mechanics - allow to treat nonlinear systems with many degrees of freedom such as field theories in nonperturbative situations, where analytical methods do fail. The computation of the hadron spectrum within the framework of lattice QCD sets a demanding goal for the application of supercomputers in basic science. It requires both big computer capacities and clever algorithms to fight all the numerical evils that one encounters in the Euclidean world. The talk will attempt to describe both the computer aspects and the present state of the art of spectrum calculations within lattice QCD. (orig.)
Visual Data-Analytics of Large-Scale Parallel Discrete-Event Simulations
Energy Technology Data Exchange (ETDEWEB)
Ross, Caitlin; Carothers, Christopher D.; Mubarak, Misbah; Carns, Philip; Ross, Robert; Li, Jianping Kelvin; Ma, Kwan-Liu
2016-11-13
Parallel discrete-event simulation (PDES) is an important tool in the codesign of extreme-scale systems because PDES provides a cost-effective way to evaluate designs of highperformance computing systems. Optimistic synchronization algorithms for PDES, such as Time Warp, allow events to be processed without global synchronization among the processing elements. A rollback mechanism is provided when events are processed out of timestamp order. Although optimistic synchronization protocols enable the scalability of large-scale PDES, the performance of the simulations must be tuned to reduce the number of rollbacks and provide an improved simulation runtime. To enable efficient large-scale optimistic simulations, one has to gain insight into the factors that affect the rollback behavior and simulation performance. We developed a tool for ROSS model developers that gives them detailed metrics on the performance of their large-scale optimistic simulations at varying levels of simulation granularity. Model developers can use this information for parameter tuning of optimistic simulations in order to achieve better runtime and fewer rollbacks. In this work, we instrument the ROSS optimistic PDES framework to gather detailed statistics about the simulation engine. We have also developed an interactive visualization interface that uses the data collected by the ROSS instrumentation to understand the underlying behavior of the simulation engine. The interface connects real time to virtual time in the simulation and provides the ability to view simulation data at different granularities. We demonstrate the usefulness of our framework by performing a visual analysis of the dragonfly network topology model provided by the CODES simulation framework built on top of ROSS. The instrumentation needs to minimize overhead in order to accurately collect data about the simulation performance. To ensure that the instrumentation does not introduce unnecessary overhead, we perform a
Large Atmospheric Computation on the Earth Simulator: The LACES Project
Directory of Open Access Journals (Sweden)
Michel Desgagné
2006-01-01
Full Text Available The Large Atmospheric Computation on the Earth Simulator (LACES project is a joint initiative between Canadian and Japanese meteorological services and academic institutions that focuses on the high resolution simulation of Hurricane Earl (1998. The unique aspect of this effort is the extent of the computational domain, which covers all of North America and Europe with a grid spacing of 1 km. The Canadian Mesoscale Compressible Community (MC2 model is shown to parallelize effectively on the Japanese Earth Simulator (ES supercomputer; however, even using the extensive computing resources of the ES Center (ESC, the full simulation for the majority of Hurricane Earl's lifecycle takes over eight days to perform and produces over 5.2 TB of raw data. Preliminary diagnostics show that the results of the LACES simulation for the tropical stage of Hurricane Earl's lifecycle compare well with available observations for the storm. Further studies involving advanced diagnostics have commenced, taking advantage of the uniquely large spatial extent of the high resolution LACES simulation to investigate multiscale interactions in the hurricane and its environment. It is hoped that these studies will enhance our understanding of processes occurring within the hurricane and between the hurricane and its planetary-scale environment.
Robust large-scale parallel nonlinear solvers for simulations.
Energy Technology Data Exchange (ETDEWEB)
Bader, Brett William; Pawlowski, Roger Patrick; Kolda, Tamara Gibson (Sandia National Laboratories, Livermore, CA)
2005-11-01
This report documents research to develop robust and efficient solution techniques for solving large-scale systems of nonlinear equations. The most widely used method for solving systems of nonlinear equations is Newton's method. While much research has been devoted to augmenting Newton-based solvers (usually with globalization techniques), little has been devoted to exploring the application of different models. Our research has been directed at evaluating techniques using different models than Newton's method: a lower order model, Broyden's method, and a higher order model, the tensor method. We have developed large-scale versions of each of these models and have demonstrated their use in important applications at Sandia. Broyden's method replaces the Jacobian with an approximation, allowing codes that cannot evaluate a Jacobian or have an inaccurate Jacobian to converge to a solution. Limited-memory methods, which have been successful in optimization, allow us to extend this approach to large-scale problems. We compare the robustness and efficiency of Newton's method, modified Newton's method, Jacobian-free Newton-Krylov method, and our limited-memory Broyden method. Comparisons are carried out for large-scale applications of fluid flow simulations and electronic circuit simulations. Results show that, in cases where the Jacobian was inaccurate or could not be computed, Broyden's method converged in some cases where Newton's method failed to converge. We identify conditions where Broyden's method can be more efficient than Newton's method. We also present modifications to a large-scale tensor method, originally proposed by Bouaricha, for greater efficiency, better robustness, and wider applicability. Tensor methods are an alternative to Newton-based methods and are based on computing a step based on a local quadratic model rather than a linear model. The advantage of Bouaricha's method is that it can use any
Pesce, Lorenzo L; Lee, Hyong C; Hereld, Mark; Visser, Sid; Stevens, Rick L; Wildeman, Albert; van Drongelen, Wim
2013-01-01
Our limited understanding of the relationship between the behavior of individual neurons and large neuronal networks is an important limitation in current epilepsy research and may be one of the main causes of our inadequate ability to treat it. Addressing this problem directly via experiments is impossibly complex; thus, we have been developing and studying medium-large-scale simulations of detailed neuronal networks to guide us. Flexibility in the connection schemas and a complete description of the cortical tissue seem necessary for this purpose. In this paper we examine some of the basic issues encountered in these multiscale simulations. We have determined the detailed behavior of two such simulators on parallel computer systems. The observed memory and computation-time scaling behavior for a distributed memory implementation were very good over the range studied, both in terms of network sizes (2,000 to 400,000 neurons) and processor pool sizes (1 to 256 processors). Our simulations required between a few megabytes and about 150 gigabytes of RAM and lasted between a few minutes and about a week, well within the capability of most multinode clusters. Therefore, simulations of epileptic seizures on networks with millions of cells should be feasible on current supercomputers.
Directory of Open Access Journals (Sweden)
Lorenzo L. Pesce
2013-01-01
Full Text Available Our limited understanding of the relationship between the behavior of individual neurons and large neuronal networks is an important limitation in current epilepsy research and may be one of the main causes of our inadequate ability to treat it. Addressing this problem directly via experiments is impossibly complex; thus, we have been developing and studying medium-large-scale simulations of detailed neuronal networks to guide us. Flexibility in the connection schemas and a complete description of the cortical tissue seem necessary for this purpose. In this paper we examine some of the basic issues encountered in these multiscale simulations. We have determined the detailed behavior of two such simulators on parallel computer systems. The observed memory and computation-time scaling behavior for a distributed memory implementation were very good over the range studied, both in terms of network sizes (2,000 to 400,000 neurons and processor pool sizes (1 to 256 processors. Our simulations required between a few megabytes and about 150 gigabytes of RAM and lasted between a few minutes and about a week, well within the capability of most multinode clusters. Therefore, simulations of epileptic seizures on networks with millions of cells should be feasible on current supercomputers.
The Roles of Sparse Direct Methods in Large-scale Simulations
Energy Technology Data Exchange (ETDEWEB)
Li, Xiaoye S.; Gao, Weiguo; Husbands, Parry J.R.; Yang, Chao; Ng, Esmond G.
2005-06-27
Sparse systems of linear equations and eigen-equations arise at the heart of many large-scale, vital simulations in DOE. Examples include the Accelerator Science and Technology SciDAC (Omega3P code, electromagnetic problem), the Center for Extended Magnetohydrodynamic Modeling SciDAC(NIMROD and M3D-C1 codes, fusion plasma simulation). The Terascale Optimal PDE Simulations (TOPS)is providing high-performance sparse direct solvers, which have had significant impacts on these applications. Over the past several years, we have been working closely with the other SciDAC teams to solve their large, sparse matrix problems arising from discretization of the partial differential equations. Most of these systems are very ill-conditioned, resulting in extremely poor convergence deployed our direct methods techniques in these applications, which achieved significant scientific results as well as performance gains. These successes were made possible through the SciDAC model of computer scientists and application scientists working together to take full advantage of terascale computing systems and new algorithms research.
The Roles of Sparse Direct Methods in Large-scale Simulations
International Nuclear Information System (INIS)
Li, Xiaoye S.; Gao, Weiguo; Husbands, Parry J.R.; Yang, Chao; Ng, Esmond G.
2005-01-01
Sparse systems of linear equations and eigen-equations arise at the heart of many large-scale, vital simulations in DOE. Examples include the Accelerator Science and Technology SciDAC (Omega3P code, electromagnetic problem), the Center for Extended Magnetohydrodynamic Modeling SciDAC(NIMROD and M3D-C1 codes, fusion plasma simulation). The Terascale Optimal PDE Simulations (TOPS)is providing high-performance sparse direct solvers, which have had significant impacts on these applications. Over the past several years, we have been working closely with the other SciDAC teams to solve their large, sparse matrix problems arising from discretization of the partial differential equations. Most of these systems are very ill-conditioned, resulting in extremely poor convergence deployed our direct methods techniques in these applications, which achieved significant scientific results as well as performance gains. These successes were made possible through the SciDAC model of computer scientists and application scientists working together to take full advantage of terascale computing systems and new algorithms research
International Nuclear Information System (INIS)
Norman, A.; Boyd, J.; Davies, G.; Flumerfelt, E.; Herner, K.; Mayer, N.; Mhashilhar, P.; Tamsett, M.; Timm, S.
2015-01-01
Modern long baseline neutrino experiments like the NOvA experiment at Fermilab, require large scale, compute intensive simulations of their neutrino beam fluxes and backgrounds induced by cosmic rays. The amount of simulation required to keep the systematic uncertainties in the simulation from dominating the final physics results is often 10x to 100x that of the actual detector exposure. For the first physics results from NOvA this has meant the simulation of more than 2 billion cosmic ray events in the far detector and more than 200 million NuMI beam spill simulations. Performing these high statistics levels of simulation have been made possible for NOvA through the use of the Open Science Grid and through large scale runs on commercial clouds like Amazon EC2. We details the challenges in performing large scale simulation in these environments and how the computing infrastructure for the NOvA experiment has been adapted to seamlessly support the running of different simulation and data processing tasks on these resources. (paper)
Large-scale numerical simulations of plasmas
International Nuclear Information System (INIS)
Hamaguchi, Satoshi
2004-01-01
The recent trend of large scales simulations of fusion plasma and processing plasmas is briefly summarized. Many advanced simulation techniques have been developed for fusion plasmas and some of these techniques are now applied to analyses of processing plasmas. (author)
Optimization and large scale computation of an entropy-based moment closure
Kristopher Garrett, C.; Hauck, Cory; Hill, Judith
2015-12-01
We present computational advances and results in the implementation of an entropy-based moment closure, MN, in the context of linear kinetic equations, with an emphasis on heterogeneous and large-scale computing platforms. Entropy-based closures are known in several cases to yield more accurate results than closures based on standard spectral approximations, such as PN, but the computational cost is generally much higher and often prohibitive. Several optimizations are introduced to improve the performance of entropy-based algorithms over previous implementations. These optimizations include the use of GPU acceleration and the exploitation of the mathematical properties of spherical harmonics, which are used as test functions in the moment formulation. To test the emerging high-performance computing paradigm of communication bound simulations, we present timing results at the largest computational scales currently available. These results show, in particular, load balancing issues in scaling the MN algorithm that do not appear for the PN algorithm. We also observe that in weak scaling tests, the ratio in time to solution of MN to PN decreases.
Computing in Large-Scale Dynamic Systems
Pruteanu, A.S.
2013-01-01
Software applications developed for large-scale systems have always been difficult to de- velop due to problems caused by the large number of computing devices involved. Above a certain network size (roughly one hundred), necessary services such as code updating, topol- ogy discovery and data
Large-scale micromagnetics simulations with dipolar interaction using all-to-all communications
Directory of Open Access Journals (Sweden)
Hiroshi Tsukahara
2016-05-01
Full Text Available We implement on our micromagnetics simulator low-complexity parallel fast-Fourier-transform algorithms, which reduces the frequency of all-to-all communications from six to two times. Almost all the computation time of micromagnetics simulation is taken up by the calculation of the magnetostatic field which can be calculated using the fast Fourier transform method. The results show that the simulation time is decreased with good scalability, even if the micromagentics simulation is performed using 8192 physical cores. This high parallelization effect enables large-scale micromagentics simulation using over one billion to be performed. Because massively parallel computing is needed to simulate the magnetization dynamics of real permanent magnets composed of many micron-sized grains, it is expected that our simulator reveals how magnetization dynamics influences the coercivity of the permanent magnet.
Real-time simulation of large-scale floods
Liu, Q.; Qin, Y.; Li, G. D.; Liu, Z.; Cheng, D. J.; Zhao, Y. H.
2016-08-01
According to the complex real-time water situation, the real-time simulation of large-scale floods is very important for flood prevention practice. Model robustness and running efficiency are two critical factors in successful real-time flood simulation. This paper proposed a robust, two-dimensional, shallow water model based on the unstructured Godunov- type finite volume method. A robust wet/dry front method is used to enhance the numerical stability. An adaptive method is proposed to improve the running efficiency. The proposed model is used for large-scale flood simulation on real topography. Results compared to those of MIKE21 show the strong performance of the proposed model.
Algebraic mesh generation for large scale viscous-compressible aerodynamic simulation
International Nuclear Information System (INIS)
Smith, R.E.
1984-01-01
Viscous-compressible aerodynamic simulation is the numerical solution of the compressible Navier-Stokes equations and associated boundary conditions. Boundary-fitted coordinate systems are well suited for the application of finite difference techniques to the Navier-Stokes equations. An algebraic approach to boundary-fitted coordinate systems is one where an explicit functional relation describes a mesh on which a solution is obtained. This approach has the advantage of rapid-precise mesh control. The basic mathematical structure of three algebraic mesh generation techniques is described. They are transfinite interpolation, the multi-surface method, and the two-boundary technique. The Navier-Stokes equations are transformed to a computational coordinate system where boundary-fitted coordinates can be applied. Large-scale computation implies that there is a large number of mesh points in the coordinate system. Computation of viscous compressible flow using boundary-fitted coordinate systems and the application of this computational philosophy on a vector computer are presented
International Nuclear Information System (INIS)
Clemmer, R.G.; Land, R.H.; Maroni, V.A.; Mintz, J.M.
1978-01-01
Although some experience has been gained in the design and construction of 0.5 to 5 m 3 /s air-detritiation systems, little information is available on the performance of these systems under realistic conditions. Recently completed studies at ANL have attempted to provide some perspective on this subject. A time-dependent computer model was developed to study the effects of various reaction and soaking mechanisms that could occur in a typically-sized fusion reactor building (approximately 10 5 m 3 ) following a range of tritium releases (2 to 200 g). In parallel with the computer study, a small (approximately 50 liter) test chamber was set up to investigate cleanup characteristics under conditions which could also be simulated with the computer code. Whereas results of computer analyses indicated that only approximately 10 -3 percent of the tritium released to an ambient enclosure should be converted to tritiated water, the bench-scale experiments gave evidence of conversions to water greater than 1%. Furthermore, although the amounts (both calculated and observed) of soaked-in tritium are usually only a very small fraction of the total tritium release, the soaked tritium is significant, in that its continuous return to the enclosure extends the cleanup time beyond the predicted value in the absence of any soaking mechanisms
Large-scale agent-based social simulation : A study on epidemic prediction and control
Zhang, M.
2016-01-01
Large-scale agent-based social simulation is gradually proving to be a versatile methodological approach for studying human societies, which could make contributions from policy making in social science, to distributed artificial intelligence and agent technology in computer science, and to theory
Plebe, Alice; Grasso, Giorgio
2016-12-01
This paper describes a system developed for the simulation of flames inside an open-source 3D computer graphic software, Blender, with the aim of analyzing in virtual reality scenarios of hazards in large-scale industrial plants. The advantages of Blender are of rendering at high resolution the very complex structure of large industrial plants, and of embedding a physical engine based on smoothed particle hydrodynamics. This particle system is used to evolve a simulated fire. The interaction of this fire with the components of the plant is computed using polyhedron separation distance, adopting a Voronoi-based strategy that optimizes the number of feature distance computations. Results on a real oil and gas refining industry are presented.
Large scale inverse problems computational methods and applications in the earth sciences
Scheichl, Robert; Freitag, Melina A; Kindermann, Stefan
2013-01-01
This book is thesecond volume of three volume series recording the ""Radon Special Semester 2011 on Multiscale Simulation & Analysis in Energy and the Environment"" taking place in Linz, Austria, October 3-7, 2011. The volume addresses the common ground in the mathematical and computational procedures required for large-scale inverse problems and data assimilation in forefront applications.
Directory of Open Access Journals (Sweden)
Vashishta P.
2011-05-01
Full Text Available A linear-scaling algorithm based on a divide-and-conquer (DC scheme is designed to perform large-scale molecular-dynamics simulations, in which interatomic forces are computed quantum mechanically in the framework of the density functional theory (DFT. This scheme is applied to the thermite reaction at an Al/Fe2O3 interface. It is found that mass diffusion and reaction rate at the interface are enhanced by a concerted metal-oxygen flip mechanism. Preliminary simulations are carried out for an aluminum particle in water based on the conventional DFT, as a target system for large-scale DC-DFT simulations. A pair of Lewis acid and base sites on the aluminum surface preferentially catalyzes hydrogen production in a low activation-barrier mechanism found in the simulations
Personalized Opportunistic Computing for CMS at Large Scale
CERN. Geneva
2015-01-01
**Douglas Thain** is an Associate Professor of Computer Science and Engineering at the University of Notre Dame, where he designs large scale distributed computing systems to power the needs of advanced science and...
Real-world-time simulation of memory consolidation in a large-scale cerebellar model
Directory of Open Access Journals (Sweden)
Masato eGosui
2016-03-01
Full Text Available We report development of a large-scale spiking network model of thecerebellum composed of more than 1 million neurons. The model isimplemented on graphics processing units (GPUs, which are dedicatedhardware for parallel computing. Using 4 GPUs simultaneously, we achieve realtime simulation, in which computer simulation ofcerebellar activity for 1 sec completes within 1 sec in thereal-world time, with temporal resolution of 1 msec.This allows us to carry out a very long-term computer simulationof cerebellar activity in a practical time with millisecond temporalresolution. Using the model, we carry out computer simulationof long-term gain adaptation of optokinetic response (OKR eye movementsfor 5 days aimed to study the neural mechanisms of posttraining memoryconsolidation. The simulation results are consistent with animal experimentsand our theory of posttraining memory consolidation. These resultssuggest that realtime computing provides a useful means to studya very slow neural process such as memory consolidation in the brain.
A method of orbital analysis for large-scale first-principles simulations
Energy Technology Data Exchange (ETDEWEB)
Ohwaki, Tsukuru [Advanced Materials Laboratory, Nissan Research Center, Nissan Motor Co., Ltd., 1 Natsushima-cho, Yokosuka, Kanagawa 237-8523 (Japan); Otani, Minoru [Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8568 (Japan); Ozaki, Taisuke [Research Center for Simulation Science (RCSS), Japan Advanced Institute of Science and Technology (JAIST), 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan)
2014-06-28
An efficient method of calculating the natural bond orbitals (NBOs) based on a truncation of the entire density matrix of a whole system is presented for large-scale density functional theory calculations. The method recovers an orbital picture for O(N) electronic structure methods which directly evaluate the density matrix without using Kohn-Sham orbitals, thus enabling quantitative analysis of chemical reactions in large-scale systems in the language of localized Lewis-type chemical bonds. With the density matrix calculated by either an exact diagonalization or O(N) method, the computational cost is O(1) for the calculation of NBOs associated with a local region where a chemical reaction takes place. As an illustration of the method, we demonstrate how an electronic structure in a local region of interest can be analyzed by NBOs in a large-scale first-principles molecular dynamics simulation for a liquid electrolyte bulk model (propylene carbonate + LiBF{sub 4})
A method of orbital analysis for large-scale first-principles simulations
International Nuclear Information System (INIS)
Ohwaki, Tsukuru; Otani, Minoru; Ozaki, Taisuke
2014-01-01
An efficient method of calculating the natural bond orbitals (NBOs) based on a truncation of the entire density matrix of a whole system is presented for large-scale density functional theory calculations. The method recovers an orbital picture for O(N) electronic structure methods which directly evaluate the density matrix without using Kohn-Sham orbitals, thus enabling quantitative analysis of chemical reactions in large-scale systems in the language of localized Lewis-type chemical bonds. With the density matrix calculated by either an exact diagonalization or O(N) method, the computational cost is O(1) for the calculation of NBOs associated with a local region where a chemical reaction takes place. As an illustration of the method, we demonstrate how an electronic structure in a local region of interest can be analyzed by NBOs in a large-scale first-principles molecular dynamics simulation for a liquid electrolyte bulk model (propylene carbonate + LiBF 4 )
Plasmonic resonances of nanoparticles from large-scale quantum mechanical simulations
Zhang, Xu; Xiang, Hongping; Zhang, Mingliang; Lu, Gang
2017-09-01
Plasmonic resonance of metallic nanoparticles results from coherent motion of its conduction electrons, driven by incident light. For the nanoparticles less than 10 nm in diameter, localized surface plasmonic resonances become sensitive to the quantum nature of the conduction electrons. Unfortunately, quantum mechanical simulations based on time-dependent Kohn-Sham density functional theory are computationally too expensive to tackle metal particles larger than 2 nm. Herein, we introduce the recently developed time-dependent orbital-free density functional theory (TD-OFDFT) approach which enables large-scale quantum mechanical simulations of plasmonic responses of metallic nanostructures. Using TD-OFDFT, we have performed quantum mechanical simulations to understand size-dependent plasmonic response of Na nanoparticles and plasmonic responses in Na nanoparticle dimers and trimers. An outlook of future development of the TD-OFDFT method is also presented.
Automatic Optimization for Large-Scale Real-Time Coastal Water Simulation
Directory of Open Access Journals (Sweden)
Shunli Wang
2016-01-01
Full Text Available We introduce an automatic optimization approach for the simulation of large-scale coastal water. To solve the singular problem of water waves obtained with the traditional model, a hybrid deep-shallow-water model is estimated by using an automatic coupling algorithm. It can handle arbitrary water depth and different underwater terrain. As a certain feature of coastal terrain, coastline is detected with the collision detection technology. Then, unnecessary water grid cells are simplified by the automatic simplification algorithm according to the depth. Finally, the model is calculated on Central Processing Unit (CPU and the simulation is implemented on Graphics Processing Unit (GPU. We show the effectiveness of our method with various results which achieve real-time rendering on consumer-level computer.
Ajami, H.; Sharma, A.; Lakshmi, V.
2017-12-01
Application of semi-distributed hydrologic modeling frameworks is a viable alternative to fully distributed hyper-resolution hydrologic models due to computational efficiency and resolving fine-scale spatial structure of hydrologic fluxes and states. However, fidelity of semi-distributed model simulations is impacted by (1) formulation of hydrologic response units (HRUs), and (2) aggregation of catchment properties for formulating simulation elements. Here, we evaluate the performance of a recently developed Soil Moisture and Runoff simulation Toolkit (SMART) for large catchment scale simulations. In SMART, topologically connected HRUs are delineated using thresholds obtained from topographic and geomorphic analysis of a catchment, and simulation elements are equivalent cross sections (ECS) representative of a hillslope in first order sub-basins. Earlier investigations have shown that formulation of ECSs at the scale of a first order sub-basin reduces computational time significantly without compromising simulation accuracy. However, the implementation of this approach has not been fully explored for catchment scale simulations. To assess SMART performance, we set-up the model over the Little Washita watershed in Oklahoma. Model evaluations using in-situ soil moisture observations show satisfactory model performance. In addition, we evaluated the performance of a number of soil moisture disaggregation schemes recently developed to provide spatially explicit soil moisture outputs at fine scale resolution. Our results illustrate that the statistical disaggregation scheme performs significantly better than the methods based on topographic data. Future work is focused on assessing the performance of SMART using remotely sensed soil moisture observations using spatially based model evaluation metrics.
Directory of Open Access Journals (Sweden)
C. M. R. Mateo
2017-10-01
Full Text Available Global-scale river models (GRMs are core tools for providing consistent estimates of global flood hazard, especially in data-scarce regions. Due to former limitations in computational power and input datasets, most GRMs have been developed to use simplified representations of flow physics and run at coarse spatial resolutions. With increasing computational power and improved datasets, the application of GRMs to finer resolutions is becoming a reality. To support development in this direction, the suitability of GRMs for application to finer resolutions needs to be assessed. This study investigates the impacts of spatial resolution and flow connectivity representation on the predictive capability of a GRM, CaMa-Flood, in simulating the 2011 extreme flood in Thailand. Analyses show that when single downstream connectivity (SDC is assumed, simulation results deteriorate with finer spatial resolution; Nash–Sutcliffe efficiency coefficients decreased by more than 50 % between simulation results at 10 km resolution and 1 km resolution. When multiple downstream connectivity (MDC is represented, simulation results slightly improve with finer spatial resolution. The SDC simulations result in excessive backflows on very flat floodplains due to the restrictive flow directions at finer resolutions. MDC channels attenuated these effects by maintaining flow connectivity and flow capacity between floodplains in varying spatial resolutions. While a regional-scale flood was chosen as a test case, these findings should be universal and may have significant impacts on large- to global-scale simulations, especially in regions where mega deltas exist.These results demonstrate that a GRM can be used for higher resolution simulations of large-scale floods, provided that MDC in rivers and floodplains is adequately represented in the model structure.
Mateo, Cherry May R.; Yamazaki, Dai; Kim, Hyungjun; Champathong, Adisorn; Vaze, Jai; Oki, Taikan
2017-10-01
Global-scale river models (GRMs) are core tools for providing consistent estimates of global flood hazard, especially in data-scarce regions. Due to former limitations in computational power and input datasets, most GRMs have been developed to use simplified representations of flow physics and run at coarse spatial resolutions. With increasing computational power and improved datasets, the application of GRMs to finer resolutions is becoming a reality. To support development in this direction, the suitability of GRMs for application to finer resolutions needs to be assessed. This study investigates the impacts of spatial resolution and flow connectivity representation on the predictive capability of a GRM, CaMa-Flood, in simulating the 2011 extreme flood in Thailand. Analyses show that when single downstream connectivity (SDC) is assumed, simulation results deteriorate with finer spatial resolution; Nash-Sutcliffe efficiency coefficients decreased by more than 50 % between simulation results at 10 km resolution and 1 km resolution. When multiple downstream connectivity (MDC) is represented, simulation results slightly improve with finer spatial resolution. The SDC simulations result in excessive backflows on very flat floodplains due to the restrictive flow directions at finer resolutions. MDC channels attenuated these effects by maintaining flow connectivity and flow capacity between floodplains in varying spatial resolutions. While a regional-scale flood was chosen as a test case, these findings should be universal and may have significant impacts on large- to global-scale simulations, especially in regions where mega deltas exist.These results demonstrate that a GRM can be used for higher resolution simulations of large-scale floods, provided that MDC in rivers and floodplains is adequately represented in the model structure.
Large Scale Computing for the Modelling of Whole Brain Connectivity
DEFF Research Database (Denmark)
Albers, Kristoffer Jon
organization of the brain in continuously increasing resolution. From these images, networks of structural and functional connectivity can be constructed. Bayesian stochastic block modelling provides a prominent data-driven approach for uncovering the latent organization, by clustering the networks into groups...... of neurons. Relying on Markov Chain Monte Carlo (MCMC) simulations as the workhorse in Bayesian inference however poses significant computational challenges, especially when modelling networks at the scale and complexity supported by high-resolution whole-brain MRI. In this thesis, we present how to overcome...... these computational limitations and apply Bayesian stochastic block models for un-supervised data-driven clustering of whole-brain connectivity in full image resolution. We implement high-performance software that allows us to efficiently apply stochastic blockmodelling with MCMC sampling on large complex networks...
Development and application of a computer model for large-scale flame acceleration experiments
International Nuclear Information System (INIS)
Marx, K.D.
1987-07-01
A new computational model for large-scale premixed flames is developed and applied to the simulation of flame acceleration experiments. The primary objective is to circumvent the necessity for resolving turbulent flame fronts; this is imperative because of the relatively coarse computational grids which must be used in engineering calculations. The essence of the model is to artificially thicken the flame by increasing the appropriate diffusivities and decreasing the combustion rate, but to do this in such a way that the burn velocity varies with pressure, temperature, and turbulence intensity according to prespecified phenomenological characteristics. The model is particularly aimed at implementation in computer codes which simulate compressible flows. To this end, it is applied to the two-dimensional simulation of hydrogen-air flame acceleration experiments in which the flame speeds and gas flow velocities attain or exceed the speed of sound in the gas. It is shown that many of the features of the flame trajectories and pressure histories in the experiments are simulated quite well by the model. Using the comparison of experimental and computational results as a guide, some insight is developed into the processes which occur in such experiments. 34 refs., 25 figs., 4 tabs
Large Scale Simulations of the Euler Equations on GPU Clusters
Liebmann, Manfred
2010-08-01
The paper investigates the scalability of a parallel Euler solver, using the Vijayasundaram method, on a GPU cluster with 32 Nvidia Geforce GTX 295 boards. The aim of this research is to enable large scale fluid dynamics simulations with up to one billion elements. We investigate communication protocols for the GPU cluster to compensate for the slow Gigabit Ethernet network between the GPU compute nodes and to maintain overall efficiency. A diesel engine intake-port and a nozzle, meshed in different resolutions, give good real world examples for the scalability tests on the GPU cluster. © 2010 IEEE.
A Novel CPU/GPU Simulation Environment for Large-Scale Biologically-Realistic Neural Modeling
Directory of Open Access Journals (Sweden)
Roger V Hoang
2013-10-01
Full Text Available Computational Neuroscience is an emerging field that provides unique opportunities to studycomplex brain structures through realistic neural simulations. However, as biological details are added tomodels, the execution time for the simulation becomes longer. Graphics Processing Units (GPUs are now being utilized to accelerate simulations due to their ability to perform computations in parallel. As such, they haveshown significant improvement in execution time compared to Central Processing Units (CPUs. Most neural simulators utilize either multiple CPUs or a single GPU for better performance, but still show limitations in execution time when biological details are not sacrificed. Therefore, we present a novel CPU/GPU simulation environment for large-scale biological networks,the NeoCortical Simulator version 6 (NCS6. NCS6 is a free, open-source, parallelizable, and scalable simula-tor, designed to run on clusters of multiple machines, potentially with high performance computing devicesin each of them. It has built-in leaky-integrate-and-fire (LIF and Izhikevich (IZH neuron models, but usersalso have the capability to design their own plug-in interface for different neuron types as desired. NCS6is currently able to simulate one million cells and 100 million synapses in quasi real time by distributing dataacross these heterogeneous clusters of CPUs and GPUs.
Exploiting Data Sparsity for Large-Scale Matrix Computations
Akbudak, Kadir
2018-02-24
Exploiting data sparsity in dense matrices is an algorithmic bridge between architectures that are increasingly memory-austere on a per-core basis and extreme-scale applications. The Hierarchical matrix Computations on Manycore Architectures (HiCMA) library tackles this challenging problem by achieving significant reductions in time to solution and memory footprint, while preserving a specified accuracy requirement of the application. HiCMA provides a high-performance implementation on distributed-memory systems of one of the most widely used matrix factorization in large-scale scientific applications, i.e., the Cholesky factorization. It employs the tile low-rank data format to compress the dense data-sparse off-diagonal tiles of the matrix. It then decomposes the matrix computations into interdependent tasks and relies on the dynamic runtime system StarPU for asynchronous out-of-order scheduling, while allowing high user-productivity. Performance comparisons and memory footprint on matrix dimensions up to eleven million show a performance gain and memory saving of more than an order of magnitude for both metrics on thousands of cores, against state-of-the-art open-source and vendor optimized numerical libraries. This represents an important milestone in enabling large-scale matrix computations toward solving big data problems in geospatial statistics for climate/weather forecasting applications.
Exploiting Data Sparsity for Large-Scale Matrix Computations
Akbudak, Kadir; Ltaief, Hatem; Mikhalev, Aleksandr; Charara, Ali; Keyes, David E.
2018-01-01
Exploiting data sparsity in dense matrices is an algorithmic bridge between architectures that are increasingly memory-austere on a per-core basis and extreme-scale applications. The Hierarchical matrix Computations on Manycore Architectures (HiCMA) library tackles this challenging problem by achieving significant reductions in time to solution and memory footprint, while preserving a specified accuracy requirement of the application. HiCMA provides a high-performance implementation on distributed-memory systems of one of the most widely used matrix factorization in large-scale scientific applications, i.e., the Cholesky factorization. It employs the tile low-rank data format to compress the dense data-sparse off-diagonal tiles of the matrix. It then decomposes the matrix computations into interdependent tasks and relies on the dynamic runtime system StarPU for asynchronous out-of-order scheduling, while allowing high user-productivity. Performance comparisons and memory footprint on matrix dimensions up to eleven million show a performance gain and memory saving of more than an order of magnitude for both metrics on thousands of cores, against state-of-the-art open-source and vendor optimized numerical libraries. This represents an important milestone in enabling large-scale matrix computations toward solving big data problems in geospatial statistics for climate/weather forecasting applications.
Full-color large-scaled computer-generated holograms using RGB color filters.
Tsuchiyama, Yasuhiro; Matsushima, Kyoji
2017-02-06
A technique using RGB color filters is proposed for creating high-quality full-color computer-generated holograms (CGHs). The fringe of these CGHs is composed of more than a billion pixels. The CGHs reconstruct full-parallax three-dimensional color images with a deep sensation of depth caused by natural motion parallax. The simulation technique as well as the principle and challenges of high-quality full-color reconstruction are presented to address the design of filter properties suitable for large-scaled CGHs. Optical reconstructions of actual fabricated full-color CGHs are demonstrated in order to verify the proposed techniques.
Simple Model for Simulating Characteristics of River Flow Velocity in Large Scale
Directory of Open Access Journals (Sweden)
Husin Alatas
2015-01-01
Full Text Available We propose a simple computer based phenomenological model to simulate the characteristics of river flow velocity in large scale. We use shuttle radar tomography mission based digital elevation model in grid form to define the terrain of catchment area. The model relies on mass-momentum conservation law and modified equation of motion of falling body in inclined plane. We assume inelastic collision occurs at every junction of two river branches to describe the dynamics of merged flow velocity.
Computer simulation of ductile fracture
International Nuclear Information System (INIS)
Wilkins, M.L.; Streit, R.D.
1979-01-01
Finite difference computer simulation programs are capable of very accurate solutions to problems in plasticity with large deformations and rotation. This opens the possibility of developing models of ductile fracture by correlating experiments with equivalent computer simulations. Selected experiments were done to emphasize different aspects of the model. A difficult problem is the establishment of a fracture-size effect. This paper is a study of the strain field around notched tensile specimens of aluminum 6061-T651. A series of geometrically scaled specimens are tested to fracture. The scaled experiments are conducted for different notch radius-to-diameter ratios. The strains at fracture are determined from computer simulations. An estimate is made of the fracture-size effect
2009-01-01
At the 19th Annual Conference on Parallel Computational Fluid Dynamics held in Antalya, Turkey, in May 2007, the most recent developments and implementations of large-scale and grid computing were presented. This book, comprised of the invited and selected papers of this conference, details those advances, which are of particular interest to CFD and CFD-related communities. It also offers the results related to applications of various scientific and engineering problems involving flows and flow-related topics. Intended for CFD researchers and graduate students, this book is a state-of-the-art presentation of the relevant methodology and implementation techniques of large-scale computing.
Exploring the large-scale structure of Taylor–Couette turbulence through Large-Eddy Simulations
Ostilla-Mónico, Rodolfo; Zhu, Xiaojue; Verzicco, Roberto
2018-04-01
Large eddy simulations (LES) of Taylor-Couette (TC) flow, the flow between two co-axial and independently rotating cylinders are performed in an attempt to explore the large-scale axially-pinned structures seen in experiments and simulations. Both static and dynamic LES models are used. The Reynolds number is kept fixed at Re = 3.4 · 104, and the radius ratio η = ri /ro is set to η = 0.909, limiting the effects of curvature and resulting in frictional Reynolds numbers of around Re τ ≈ 500. Four rotation ratios from Rot = ‑0.0909 to Rot = 0.3 are simulated. First, the LES of TC is benchmarked for different rotation ratios. Both the Smagorinsky model with a constant of cs = 0.1 and the dynamic model are found to produce reasonable results for no mean rotation and cyclonic rotation, but deviations increase for increasing rotation. This is attributed to the increasing anisotropic character of the fluctuations. Second, “over-damped” LES, i.e. LES with a large Smagorinsky constant is performed and is shown to reproduce some features of the large-scale structures, even when the near-wall region is not adequately modeled. This shows the potential for using over-damped LES for fast explorations of the parameter space where large-scale structures are found.
Large-eddy simulation with accurate implicit subgrid-scale diffusion
B. Koren (Barry); C. Beets
1996-01-01
textabstractA method for large-eddy simulation is presented that does not use an explicit subgrid-scale diffusion term. Subgrid-scale effects are modelled implicitly through an appropriate monotone (in the sense of Spekreijse 1987) discretization method for the advective terms. Special attention is
Large-scale derived flood frequency analysis based on continuous simulation
Dung Nguyen, Viet; Hundecha, Yeshewatesfa; Guse, Björn; Vorogushyn, Sergiy; Merz, Bruno
2016-04-01
There is an increasing need for spatially consistent flood risk assessments at the regional scale (several 100.000 km2), in particular in the insurance industry and for national risk reduction strategies. However, most large-scale flood risk assessments are composed of smaller-scale assessments and show spatial inconsistencies. To overcome this deficit, a large-scale flood model composed of a weather generator and catchments models was developed reflecting the spatially inherent heterogeneity. The weather generator is a multisite and multivariate stochastic model capable of generating synthetic meteorological fields (precipitation, temperature, etc.) at daily resolution for the regional scale. These fields respect the observed autocorrelation, spatial correlation and co-variance between the variables. They are used as input into catchment models. A long-term simulation of this combined system enables to derive very long discharge series at many catchment locations serving as a basic for spatially consistent flood risk estimates at the regional scale. This combined model was set up and validated for major river catchments in Germany. The weather generator was trained by 53-year observation data at 528 stations covering not only the complete Germany but also parts of France, Switzerland, Czech Republic and Australia with the aggregated spatial scale of 443,931 km2. 10.000 years of daily meteorological fields for the study area were generated. Likewise, rainfall-runoff simulations with SWIM were performed for the entire Elbe, Rhine, Weser, Donau and Ems catchments. The validation results illustrate a good performance of the combined system, as the simulated flood magnitudes and frequencies agree well with the observed flood data. Based on continuous simulation this model chain is then used to estimate flood quantiles for the whole Germany including upstream headwater catchments in neighbouring countries. This continuous large scale approach overcomes the several
Tiselj, Iztok
2014-12-01
Channel flow DNS (Direct Numerical Simulation) at friction Reynolds number 180 and with passive scalars of Prandtl numbers 1 and 0.01 was performed in various computational domains. The "normal" size domain was ˜2300 wall units long and ˜750 wall units wide; size taken from the similar DNS of Moser et al. The "large" computational domain, which is supposed to be sufficient to describe the largest structures of the turbulent flows was 3 times longer and 3 times wider than the "normal" domain. The "very large" domain was 6 times longer and 6 times wider than the "normal" domain. All simulations were performed with the same spatial and temporal resolution. Comparison of the standard and large computational domains shows the velocity field statistics (mean velocity, root-mean-square (RMS) fluctuations, and turbulent Reynolds stresses) that are within 1%-2%. Similar agreement is observed for Pr = 1 temperature fields and can be observed also for the mean temperature profiles at Pr = 0.01. These differences can be attributed to the statistical uncertainties of the DNS. However, second-order moments, i.e., RMS temperature fluctuations of standard and large computational domains at Pr = 0.01 show significant differences of up to 20%. Stronger temperature fluctuations in the "large" and "very large" domains confirm the existence of the large-scale structures. Their influence is more or less invisible in the main velocity field statistics or in the statistics of the temperature fields at Prandtl numbers around 1. However, these structures play visible role in the temperature fluctuations at low Prandtl number, where high temperature diffusivity effectively smears the small-scale structures in the thermal field and enhances the relative contribution of large-scales. These large thermal structures represent some kind of an echo of the large scale velocity structures: the highest temperature-velocity correlations are not observed between the instantaneous temperatures and
Sakaida, Satoshi; Tabe, Yutaka; Chikahisa, Takemi
2017-09-01
A method for the large-scale simulation with the lattice Boltzmann method (LBM) is proposed for liquid water movement in a gas diffusion layer (GDL) of polymer electrolyte membrane fuel cells. The LBM is able to analyze two-phase flows in complex structures, however the simulation domain is limited due to heavy computational loads. This study investigates a variety means to reduce computational loads and increase the simulation areas. One is applying an LBM treating two-phases as having the same density, together with keeping numerical stability with large time steps. The applicability of this approach is confirmed by comparing the results with rigorous simulations using actual density. The second is establishing the maximum limit of the Capillary number that maintains flow patterns similar to the precise simulation; this is attempted as the computational load is inversely proportional to the Capillary number. The results show that the Capillary number can be increased to 3.0 × 10-3, where the actual operation corresponds to Ca = 10-5∼10-8. The limit is also investigated experimentally using an enlarged scale model satisfying similarity conditions for the flow. Finally, a demonstration is made of the effects of pore uniformity in GDL as an example of a large-scale simulation covering a channel.
Large Scale Simulation Platform for NODES Validation Study
Energy Technology Data Exchange (ETDEWEB)
Sotorrio, P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Qin, Y. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Min, L. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2017-04-27
This report summarizes the Large Scale (LS) simulation platform created for the Eaton NODES project. The simulation environment consists of both wholesale market simulator and distribution simulator and includes the CAISO wholesale market model and a PG&E footprint of 25-75 feeders to validate the scalability under a scenario of 33% RPS in California with additional 17% of DERS coming from distribution and customers. The simulator can generate hourly unit commitment, 5-minute economic dispatch, and 4-second AGC regulation signals. The simulator is also capable of simulating greater than 10k individual controllable devices. Simulated DERs include water heaters, EVs, residential and light commercial HVAC/buildings, and residential-level battery storage. Feeder-level voltage regulators and capacitor banks are also simulated for feeder-level real and reactive power management and Vol/Var control.
Subgrid-scale models for large-eddy simulation of rotating turbulent channel flows
Silvis, Maurits H.; Bae, Hyunji Jane; Trias, F. Xavier; Abkar, Mahdi; Moin, Parviz; Verstappen, Roel
2017-11-01
We aim to design subgrid-scale models for large-eddy simulation of rotating turbulent flows. Rotating turbulent flows form a challenging test case for large-eddy simulation due to the presence of the Coriolis force. The Coriolis force conserves the total kinetic energy while transporting it from small to large scales of motion, leading to the formation of large-scale anisotropic flow structures. The Coriolis force may also cause partial flow laminarization and the occurrence of turbulent bursts. Many subgrid-scale models for large-eddy simulation are, however, primarily designed to parametrize the dissipative nature of turbulent flows, ignoring the specific characteristics of transport processes. We, therefore, propose a new subgrid-scale model that, in addition to the usual dissipative eddy viscosity term, contains a nondissipative nonlinear model term designed to capture transport processes, such as those due to rotation. We show that the addition of this nonlinear model term leads to improved predictions of the energy spectra of rotating homogeneous isotropic turbulence as well as of the Reynolds stress anisotropy in spanwise-rotating plane-channel flows. This work is financed by the Netherlands Organisation for Scientific Research (NWO) under Project Number 613.001.212.
Large-Scale Brain Simulation and Disorders of Consciousness. Mapping Technical and Conceptual Issues
Directory of Open Access Journals (Sweden)
Michele Farisco
2018-04-01
Full Text Available Modeling and simulations have gained a leading position in contemporary attempts to describe, explain, and quantitatively predict the human brain’s operations. Computer models are highly sophisticated tools developed to achieve an integrated knowledge of the brain with the aim of overcoming the actual fragmentation resulting from different neuroscientific approaches. In this paper we investigate the plausibility of simulation technologies for emulation of consciousness and the potential clinical impact of large-scale brain simulation on the assessment and care of disorders of consciousness (DOCs, e.g., Coma, Vegetative State/Unresponsive Wakefulness Syndrome, Minimally Conscious State. Notwithstanding their technical limitations, we suggest that simulation technologies may offer new solutions to old practical problems, particularly in clinical contexts. We take DOCs as an illustrative case, arguing that the simulation of neural correlates of consciousness is potentially useful for improving treatments of patients with DOCs.
On the rejection-based algorithm for simulation and analysis of large-scale reaction networks
Energy Technology Data Exchange (ETDEWEB)
Thanh, Vo Hong, E-mail: vo@cosbi.eu [The Microsoft Research-University of Trento Centre for Computational and Systems Biology, Piazza Manifattura 1, Rovereto 38068 (Italy); Zunino, Roberto, E-mail: roberto.zunino@unitn.it [Department of Mathematics, University of Trento, Trento (Italy); Priami, Corrado, E-mail: priami@cosbi.eu [The Microsoft Research-University of Trento Centre for Computational and Systems Biology, Piazza Manifattura 1, Rovereto 38068 (Italy); Department of Mathematics, University of Trento, Trento (Italy)
2015-06-28
Stochastic simulation for in silico studies of large biochemical networks requires a great amount of computational time. We recently proposed a new exact simulation algorithm, called the rejection-based stochastic simulation algorithm (RSSA) [Thanh et al., J. Chem. Phys. 141(13), 134116 (2014)], to improve simulation performance by postponing and collapsing as much as possible the propensity updates. In this paper, we analyze the performance of this algorithm in detail, and improve it for simulating large-scale biochemical reaction networks. We also present a new algorithm, called simultaneous RSSA (SRSSA), which generates many independent trajectories simultaneously for the analysis of the biochemical behavior. SRSSA improves simulation performance by utilizing a single data structure across simulations to select reaction firings and forming trajectories. The memory requirement for building and storing the data structure is thus independent of the number of trajectories. The updating of the data structure when needed is performed collectively in a single operation across the simulations. The trajectories generated by SRSSA are exact and independent of each other by exploiting the rejection-based mechanism. We test our new improvement on real biological systems with a wide range of reaction networks to demonstrate its applicability and efficiency.
Sensitivity technologies for large scale simulation
International Nuclear Information System (INIS)
Collis, Samuel Scott; Bartlett, Roscoe Ainsworth; Smith, Thomas Michael; Heinkenschloss, Matthias; Wilcox, Lucas C.; Hill, Judith C.; Ghattas, Omar; Berggren, Martin Olof; Akcelik, Volkan; Ober, Curtis Curry; van Bloemen Waanders, Bart Gustaaf; Keiter, Eric Richard
2005-01-01
order approximation of the Euler equations and used as a preconditioner. In comparison to other methods, the AD preconditioner showed better convergence behavior. Our ultimate target is to perform shape optimization and hp adaptivity using adjoint formulations in the Premo compressible fluid flow simulator. A mathematical formulation for mixed-level simulation algorithms has been developed where different physics interact at potentially different spatial resolutions in a single domain. To minimize the implementation effort, explicit solution methods can be considered, however, implicit methods are preferred if computational efficiency is of high priority. We present the use of a partial elimination nonlinear solver technique to solve these mixed level problems and show how these formulation are closely coupled to intrusive optimization approaches and sensitivity analyses. Production codes are typically not designed for sensitivity analysis or large scale optimization. The implementation of our optimization libraries into multiple production simulation codes in which each code has their own linear algebra interface becomes an intractable problem. In an attempt to streamline this task, we have developed a standard interface between the numerical algorithm (such as optimization) and the underlying linear algebra. These interfaces (TSFCore and TSFCoreNonlin) have been adopted by the Trilinos framework and the goal is to promote the use of these interfaces especially with new developments. Finally, an adjoint based a posteriori error estimator has been developed for discontinuous Galerkin discretization of Poisson's equation. The goal is to investigate other ways to leverage the adjoint calculations and we show how the convergence of the forward problem can be improved by adapting the grid using adjoint-based error estimates. Error estimation is usually conducted with continuous adjoints but if discrete adjoints are available it may be possible to reuse the discrete version
Energy Technology Data Exchange (ETDEWEB)
Kashiwagi, H [Institute for Molecular Science, Okazaki, Aichi (Japan)
1982-06-01
A large computer system was designed and established for molecular science under the leadership of molecular scientists. Features of the computer system are an automated operation system and an open self-service system. Large-scale theoretical calculations have been performed to solve many problems in molecular science, using the computer system. Necessary conditions for future computers are discussed on the basis of this experience.
International Nuclear Information System (INIS)
Kashiwagi, H.
1982-01-01
A large computer system was designed and established for molecular science under the leadership of molecular scientists. Features of the computer system are an automated operation system and an open self-service system. Large-scale theoretical calculations have been performed to solve many problems in molecular science, using the computer system. Necessary conditions for future computers are discussed on the basis of this experience. (orig.)
[The research on bidirectional reflectance computer simulation of forest canopy at pixel scale].
Song, Jin-Ling; Wang, Jin-Di; Shuai, Yan-Min; Xiao, Zhi-Qiang
2009-08-01
Computer simulation is based on computer graphics to generate the realistic 3D structure scene of vegetation, and to simulate the canopy regime using radiosity method. In the present paper, the authors expand the computer simulation model to simulate forest canopy bidirectional reflectance at pixel scale. But usually, the trees are complex structures, which are tall and have many branches. So there is almost a need for hundreds of thousands or even millions of facets to built up the realistic structure scene for the forest It is difficult for the radiosity method to compute so many facets. In order to make the radiosity method to simulate the forest scene at pixel scale, in the authors' research, the authors proposed one idea to simplify the structure of forest crowns, and abstract the crowns to ellipsoids. And based on the optical characteristics of the tree component and the characteristics of the internal energy transmission of photon in real crown, the authors valued the optical characteristics of ellipsoid surface facets. In the computer simulation of the forest, with the idea of geometrical optics model, the gap model is considered to get the forest canopy bidirectional reflectance at pixel scale. Comparing the computer simulation results with the GOMS model, and Multi-angle Imaging SpectroRadiometer (MISR) multi-angle remote sensing data, the simulation results are in agreement with the GOMS simulation result and MISR BRF. But there are also some problems to be solved. So the authors can conclude that the study has important value for the application of multi-angle remote sensing and the inversion of vegetation canopy structure parameters.
Cardall, Christian Y.; Budiardja, Reuben D.
2018-01-01
The large-scale computer simulation of a system of physical fields governed by partial differential equations requires some means of approximating the mathematical limit of continuity. For example, conservation laws are often treated with a 'finite-volume' approach in which space is partitioned into a large number of small 'cells,' with fluxes through cell faces providing an intuitive discretization modeled on the mathematical definition of the divergence operator. Here we describe and make available Fortran 2003 classes furnishing extensible object-oriented implementations of simple meshes and the evolution of generic conserved currents thereon, along with individual 'unit test' programs and larger example problems demonstrating their use. These classes inaugurate the Mathematics division of our developing astrophysics simulation code GENASIS (Gen eral A strophysical Si mulation S ystem), which will be expanded over time to include additional meshing options, mathematical operations, solver types, and solver variations appropriate for many multiphysics applications.
Large-scale computation in solid state physics - Recent developments and prospects
International Nuclear Information System (INIS)
DeVreese, J.T.
1985-01-01
During the past few years an increasing interest in large-scale computation is developing. Several initiatives were taken to evaluate and exploit the potential of ''supercomputers'' like the CRAY-1 (or XMP) or the CYBER-205. In the U.S.A., there first appeared the Lax report in 1982 and subsequently (1984) the National Science Foundation in the U.S.A. announced a program to promote large-scale computation at the universities. Also, in Europe several CRAY- and CYBER-205 systems have been installed. Although the presently available mainframes are the result of a continuous growth in speed and memory, they might have induced a discontinuous transition in the evolution of the scientific method; between theory and experiment a third methodology, ''computational science'', has become or is becoming operational
Development of the simulation package 'ELSES' for extra-large-scale electronic structure calculation
International Nuclear Information System (INIS)
Hoshi, T; Fujiwara, T
2009-01-01
An early-stage version of the simulation package 'ELSES' (extra-large-scale electronic structure calculation) is developed for simulating the electronic structure and dynamics of large systems, particularly nanometer-scale and ten-nanometer-scale systems (see www.elses.jp). Input and output files are written in the extensible markup language (XML) style for general users. Related pre-/post-simulation tools are also available. A practical workflow and an example are described. A test calculation for the GaAs bulk system is shown, to demonstrate that the present code can handle systems with more than one atom species. Several future aspects are also discussed.
Simulating chemistry using quantum computers.
Kassal, Ivan; Whitfield, James D; Perdomo-Ortiz, Alejandro; Yung, Man-Hong; Aspuru-Guzik, Alán
2011-01-01
The difficulty of simulating quantum systems, well known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on conventional computers, by mapping the quantum system to another, more controllable one. In this review, we discuss to what extent the ideas in quantum computation, now a well-established field, have been applied to chemical problems. We describe algorithms that achieve significant advantages for the electronic-structure problem, the simulation of chemical dynamics, protein folding, and other tasks. Although theory is still ahead of experiment, we outline recent advances that have led to the first chemical calculations on small quantum information processors.
Dednam, W.; Botha, A. E.
2015-01-01
Solvation of bio-molecules in water is severely affected by the presence of co-solvent within the hydration shell of the solute structure. Furthermore, since solute molecules can range from small molecules, such as methane, to very large protein structures, it is imperative to understand the detailed structure-function relationship on the microscopic level. For example, it is useful know the conformational transitions that occur in protein structures. Although such an understanding can be obtained through large-scale molecular dynamic simulations, it is often the case that such simulations would require excessively large simulation times. In this context, Kirkwood-Buff theory, which connects the microscopic pair-wise molecular distributions to global thermodynamic properties, together with the recently developed technique, called finite size scaling, may provide a better method to reduce system sizes, and hence also the computational times. In this paper, we present molecular dynamics trial simulations of biologically relevant low-concentration solvents, solvated by aqueous co-solvent solutions. In particular we compare two different methods of calculating the relevant Kirkwood-Buff integrals. The first (traditional) method computes running integrals over the radial distribution functions, which must be obtained from large system-size NVT or NpT simulations. The second, newer method, employs finite size scaling to obtain the Kirkwood-Buff integrals directly by counting the particle number fluctuations in small, open sub-volumes embedded within a larger reservoir that can be well approximated by a much smaller simulation cell. In agreement with previous studies, which made a similar comparison for aqueous co-solvent solutions, without the additional solvent, we conclude that the finite size scaling method is also applicable to the present case, since it can produce computationally more efficient results which are equivalent to the more costly radial distribution
International Nuclear Information System (INIS)
Dednam, W; Botha, A E
2015-01-01
Solvation of bio-molecules in water is severely affected by the presence of co-solvent within the hydration shell of the solute structure. Furthermore, since solute molecules can range from small molecules, such as methane, to very large protein structures, it is imperative to understand the detailed structure-function relationship on the microscopic level. For example, it is useful know the conformational transitions that occur in protein structures. Although such an understanding can be obtained through large-scale molecular dynamic simulations, it is often the case that such simulations would require excessively large simulation times. In this context, Kirkwood-Buff theory, which connects the microscopic pair-wise molecular distributions to global thermodynamic properties, together with the recently developed technique, called finite size scaling, may provide a better method to reduce system sizes, and hence also the computational times. In this paper, we present molecular dynamics trial simulations of biologically relevant low-concentration solvents, solvated by aqueous co-solvent solutions. In particular we compare two different methods of calculating the relevant Kirkwood-Buff integrals. The first (traditional) method computes running integrals over the radial distribution functions, which must be obtained from large system-size NVT or NpT simulations. The second, newer method, employs finite size scaling to obtain the Kirkwood-Buff integrals directly by counting the particle number fluctuations in small, open sub-volumes embedded within a larger reservoir that can be well approximated by a much smaller simulation cell. In agreement with previous studies, which made a similar comparison for aqueous co-solvent solutions, without the additional solvent, we conclude that the finite size scaling method is also applicable to the present case, since it can produce computationally more efficient results which are equivalent to the more costly radial distribution
Software Engineering for Scientific Computer Simulations
Post, Douglass E.; Henderson, Dale B.; Kendall, Richard P.; Whitney, Earl M.
2004-11-01
Computer simulation is becoming a very powerful tool for analyzing and predicting the performance of fusion experiments. Simulation efforts are evolving from including only a few effects to many effects, from small teams with a few people to large teams, and from workstations and small processor count parallel computers to massively parallel platforms. Successfully making this transition requires attention to software engineering issues. We report on the conclusions drawn from a number of case studies of large scale scientific computing projects within DOE, academia and the DoD. The major lessons learned include attention to sound project management including setting reasonable and achievable requirements, building a good code team, enforcing customer focus, carrying out verification and validation and selecting the optimum computational mathematics approaches.
Energy Technology Data Exchange (ETDEWEB)
Wang, Xu; Ding, Jie; Guo, Wan-Qian; Ren, Nan-Qi [State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, 202 Haihe Road, Nangang District, Harbin, Heilongjiang 150090 (China)
2010-10-15
The objective of conducting experiments in a laboratory is to gain data that helps in designing and operating large-scale biological processes. However, the scale-up and design of industrial-scale biohydrogen production reactors is still uncertain. In this paper, an established and proven Eulerian-Eulerian computational fluid dynamics (CFD) model was employed to perform hydrodynamics assessments of an industrial-scale continuous stirred-tank reactor (CSTR) for biohydrogen production. The merits of the laboratory-scale CSTR and industrial-scale CSTR were compared and analyzed on the basis of CFD simulation. The outcomes demonstrated that there are many parameters that need to be optimized in the industrial-scale reactor, such as the velocity field and stagnation zone. According to the results of hydrodynamics evaluation, the structure of industrial-scale CSTR was optimized and the results are positive in terms of advancing the industrialization of biohydrogen production. (author)
Anatomically detailed and large-scale simulations studying synapse loss and synchrony using NeuroBox
Directory of Open Access Journals (Sweden)
Markus eBreit
2016-02-01
Full Text Available The morphology of neurons and networks plays an important role in processing electrical and biochemical signals. Based on neuronal reconstructions, which are becoming abundantly available through databases such as NeuroMorpho.org, numerical simulations of Hodgkin-Huxley-type equations, coupled to biochemical models, can be performed in order to systematically investigate the influence of cellular morphology and the connectivity pattern in networks on the underlying function. Development in the area of synthetic neural network generation and morphology reconstruction from microscopy data has brought forth the software tool NeuGen. Coupling this morphology data (either from databases, synthetic or reconstruction to the simulation platform UG 4 (which harbors a neuroscientific portfolio and VRL-Studio, has brought forth the extendible toolbox NeuroBox. NeuroBox allows users to perform numerical simulations on hybrid-dimensional morphology representations. The code basis is designed in a modular way, such that e.g. new channel or synapse types can be added to the library. Workflows can be specified through scripts or through the VRL-Studio graphical workflow representation. Third-party tools, such as ImageJ, can be added to NeuroBox workflows. In this paper, NeuroBox is used to study the electrical and biochemical effects of synapse loss vs. synchrony in neurons, to investigate large morphology data sets within detailed biophysical simulations, and used to demonstrate the capability of utilizing high-performance computing infrastructure for large scale network simulations. Using new synapse distribution methods and Finite Volume based numerical solvers for compartment-type models, our results demonstrate how an increase in synaptic synchronization can compensate synapse loss at the electrical and calcium level, and how detailed neuronal morphology can be integrated in large-scale network simulations.
Amplification of large-scale magnetic field in nonhelical magnetohydrodynamics
Kumar, Rohit
2017-08-11
It is typically assumed that the kinetic and magnetic helicities play a crucial role in the growth of large-scale dynamo. In this paper, we demonstrate that helicity is not essential for the amplification of large-scale magnetic field. For this purpose, we perform nonhelical magnetohydrodynamic (MHD) simulation, and show that the large-scale magnetic field can grow in nonhelical MHD when random external forcing is employed at scale 1/10 the box size. The energy fluxes and shell-to-shell transfer rates computed using the numerical data show that the large-scale magnetic energy grows due to the energy transfers from the velocity field at the forcing scales.
International Nuclear Information System (INIS)
Mendez-Villuendas, E; Baoukina, S; Tieleman, D P
2012-01-01
Molecular dynamics simulations have rapidly grown in size and complexity, as computers have become more powerful and molecular dynamics software more efficient. Using coarse-grained models like MARTINI system sizes of the order of 50 nm × 50 nm × 50 nm can be simulated on commodity clusters on microsecond time scales. For simulations of biological membranes and monolayers mimicking lung surfactant this enables large-scale transformation and complex mixtures of lipids and proteins. Here we use a simulation of a monolayer with three phospholipid components, cholesterol, lung surfactant proteins, water, and ions on a ten microsecond time scale to illustrate some current challenges in analysis. In the simulation, phase separation occurs followed by formation of a bilayer fold in which lipids and lung surfactant protein form a highly curved structure in the aqueous phase. We use Voronoi analysis to obtain detailed physical properties of the different components and phases, and calculate local mean and Gaussian curvatures of the bilayer fold.
High-Resiliency and Auto-Scaling of Large-Scale Cloud Computing for OCO-2 L2 Full Physics Processing
Hua, H.; Manipon, G.; Starch, M.; Dang, L. B.; Southam, P.; Wilson, B. D.; Avis, C.; Chang, A.; Cheng, C.; Smyth, M.; McDuffie, J. L.; Ramirez, P.
2015-12-01
Next generation science data systems are needed to address the incoming flood of data from new missions such as SWOT and NISAR where data volumes and data throughput rates are order of magnitude larger than present day missions. Additionally, traditional means of procuring hardware on-premise are already limited due to facilities capacity constraints for these new missions. Existing missions, such as OCO-2, may also require high turn-around time for processing different science scenarios where on-premise and even traditional HPC computing environments may not meet the high processing needs. We present our experiences on deploying a hybrid-cloud computing science data system (HySDS) for the OCO-2 Science Computing Facility to support large-scale processing of their Level-2 full physics data products. We will explore optimization approaches to getting best performance out of hybrid-cloud computing as well as common issues that will arise when dealing with large-scale computing. Novel approaches were utilized to do processing on Amazon's spot market, which can potentially offer ~10X costs savings but with an unpredictable computing environment based on market forces. We will present how we enabled high-tolerance computing in order to achieve large-scale computing as well as operational cost savings.
Pore-Scale Simulation for Predicting Material Transport Through Porous Media
International Nuclear Information System (INIS)
Goichi Itoh; Jinya Nakamura; Koji Kono; Tadashi Watanabe; Hirotada Ohashi; Yu Chen; Shinya Nagasaki
2002-01-01
Microscopic models of real-coded lattice gas automata (RLG) method with a special boundary condition and lattice Boltzmann method (LBM) are developed for simulating three-dimensional fluid dynamics in complex geometry. Those models enable us to simulate pore-scale fluid dynamics that is an essential part for predicting material transport in porous media precisely. For large-scale simulation of porous media with high resolution, the RLG and LBM programs are designed for parallel computation. Simulation results of porous media flow by the LBM with different pressure gradient conditions show quantitative agreements with macroscopic relations of Darcy's law and Kozeny-Carman equation. As for the efficiency of parallel computing, a standard parallel computation by using MPI (Message Passing Interface) is compared with the hybrid parallel computation of MPI-node parallel technique. The benchmark tests conclude that in case of using large number of computing node, the parallel performance declines due to increase of data communication between nodes and the hybrid parallel computation totally shows better performance in comparison with the standard parallel computation. (authors)
Directory of Open Access Journals (Sweden)
Qing-He Yao
2013-01-01
Full Text Available The motions of the airflow induced by the movement of an automatic guided vehicle (AGV in a cleanroom are numerically studied by large-scale simulation. For this purpose, numerical experiments scheme based on domain decomposition method is designed. Compared with the related past research, the high Reynolds number is treated by large-scale computation in this work. A domain decomposition Lagrange-Galerkin method is employed to approximate the Navier-Stokes equations and the convection diffusion equation; the stiffness matrix is symmetric and an incomplete balancing preconditioned conjugate gradient (PCG method is employed to solve the linear algebra system iteratively. The end wall effects are readily viewed, and the necessity of the extension to 3 dimensions is confirmed. The effect of the high efficiency particular air (HEPA filter on contamination control is studied and the proper setting of the speed of the clean air flow is also investigated. More details of the recirculation zones are revealed by the 3D large-scale simulation.
Lattice models for large-scale simulations of coherent wave scattering
Wang, Shumin; Teixeira, Fernando L.
2004-01-01
Lattice approximations for partial differential equations describing physical phenomena are commonly used for the numerical simulation of many problems otherwise intractable by pure analytical approaches. The discretization inevitably leads to many of the original symmetries to be broken or modified. In the case of Maxwell’s equations for example, invariance and isotropy of the speed of light in vacuum is invariably lost because of the so-called grid dispersion. Since it is a cumulative effect, grid dispersion is particularly harmful for the accuracy of results of large-scale simulations of scattering problems. Grid dispersion is usually combated by either increasing the lattice resolution or by employing higher-order schemes with larger stencils for the space and time derivatives. Both alternatives lead to increased computational cost to simulate a problem of a given physical size. Here, we introduce a general approach to develop lattice approximations with reduced grid dispersion error for a given stencil (and hence at no additional computational cost). The present approach is based on first obtaining stencil coefficients in the Fourier domain that minimize the maximum grid dispersion error for wave propagation at all directions (minimax sense). The resulting coefficients are then expanded into a Taylor series in terms of the frequency variable and incorporated into time-domain (update) equations after an inverse Fourier transformation. Maximally flat (Butterworth) or Chebyshev filters are subsequently used to minimize the wave speed variations for a given frequency range of interest. The use of such filters also allows for the adjustment of the grid dispersion characteristics so as to minimize not only the local dispersion error but also the accumulated phase error in a frequency range of interest.
Initial condition effects on large scale structure in numerical simulations of plane mixing layers
McMullan, W. A.; Garrett, S. J.
2016-01-01
In this paper, Large Eddy Simulations are performed on the spatially developing plane turbulent mixing layer. The simulated mixing layers originate from initially laminar conditions. The focus of this research is on the effect of the nature of the imposed fluctuations on the large-scale spanwise and streamwise structures in the flow. Two simulations are performed; one with low-level three-dimensional inflow fluctuations obtained from pseudo-random numbers, the other with physically correlated fluctuations of the same magnitude obtained from an inflow generation technique. Where white-noise fluctuations provide the inflow disturbances, no spatially stationary streamwise vortex structure is observed, and the large-scale spanwise turbulent vortical structures grow continuously and linearly. These structures are observed to have a three-dimensional internal geometry with branches and dislocations. Where physically correlated provide the inflow disturbances a "streaky" streamwise structure that is spatially stationary is observed, with the large-scale turbulent vortical structures growing with the square-root of time. These large-scale structures are quasi-two-dimensional, on top of which the secondary structure rides. The simulation results are discussed in the context of the varying interpretations of mixing layer growth that have been postulated. Recommendations are made concerning the data required from experiments in order to produce accurate numerical simulation recreations of real flows.
Towards Portable Large-Scale Image Processing with High-Performance Computing.
Huo, Yuankai; Blaber, Justin; Damon, Stephen M; Boyd, Brian D; Bao, Shunxing; Parvathaneni, Prasanna; Noguera, Camilo Bermudez; Chaganti, Shikha; Nath, Vishwesh; Greer, Jasmine M; Lyu, Ilwoo; French, William R; Newton, Allen T; Rogers, Baxter P; Landman, Bennett A
2018-05-03
High-throughput, large-scale medical image computing demands tight integration of high-performance computing (HPC) infrastructure for data storage, job distribution, and image processing. The Vanderbilt University Institute for Imaging Science (VUIIS) Center for Computational Imaging (CCI) has constructed a large-scale image storage and processing infrastructure that is composed of (1) a large-scale image database using the eXtensible Neuroimaging Archive Toolkit (XNAT), (2) a content-aware job scheduling platform using the Distributed Automation for XNAT pipeline automation tool (DAX), and (3) a wide variety of encapsulated image processing pipelines called "spiders." The VUIIS CCI medical image data storage and processing infrastructure have housed and processed nearly half-million medical image volumes with Vanderbilt Advanced Computing Center for Research and Education (ACCRE), which is the HPC facility at the Vanderbilt University. The initial deployment was natively deployed (i.e., direct installations on a bare-metal server) within the ACCRE hardware and software environments, which lead to issues of portability and sustainability. First, it could be laborious to deploy the entire VUIIS CCI medical image data storage and processing infrastructure to another HPC center with varying hardware infrastructure, library availability, and software permission policies. Second, the spiders were not developed in an isolated manner, which has led to software dependency issues during system upgrades or remote software installation. To address such issues, herein, we describe recent innovations using containerization techniques with XNAT/DAX which are used to isolate the VUIIS CCI medical image data storage and processing infrastructure from the underlying hardware and software environments. The newly presented XNAT/DAX solution has the following new features: (1) multi-level portability from system level to the application level, (2) flexible and dynamic software
International Nuclear Information System (INIS)
Battaglia, N.; Trac, H.; Cen, R.; Loeb, A.
2013-01-01
We present a new method for modeling inhomogeneous cosmic reionization on large scales. Utilizing high-resolution radiation-hydrodynamic simulations with 2048 3 dark matter particles, 2048 3 gas cells, and 17 billion adaptive rays in a L = 100 Mpc h –1 box, we show that the density and reionization redshift fields are highly correlated on large scales (∼> 1 Mpc h –1 ). This correlation can be statistically represented by a scale-dependent linear bias. We construct a parametric function for the bias, which is then used to filter any large-scale density field to derive the corresponding spatially varying reionization redshift field. The parametric model has three free parameters that can be reduced to one free parameter when we fit the two bias parameters to simulation results. We can differentiate degenerate combinations of the bias parameters by combining results for the global ionization histories and correlation length between ionized regions. Unlike previous semi-analytic models, the evolution of the reionization redshift field in our model is directly compared cell by cell against simulations and performs well in all tests. Our model maps the high-resolution, intermediate-volume radiation-hydrodynamic simulations onto lower-resolution, larger-volume N-body simulations (∼> 2 Gpc h –1 ) in order to make mock observations and theoretical predictions
Venkatachari, Balaji Shankar; Streett, Craig L.; Chang, Chau-Lyan; Friedlander, David J.; Wang, Xiao-Yen; Chang, Sin-Chung
2016-01-01
Despite decades of development of unstructured mesh methods, high-fidelity time-accurate simulations are still predominantly carried out on structured, or unstructured hexahedral meshes by using high-order finite-difference, weighted essentially non-oscillatory (WENO), or hybrid schemes formed by their combinations. In this work, the space-time conservation element solution element (CESE) method is used to simulate several flow problems including supersonic jet/shock interaction and its impact on launch vehicle acoustics, and direct numerical simulations of turbulent flows using tetrahedral meshes. This paper provides a status report for the continuing development of the space-time conservation element solution element (CESE) numerical and software framework under the Revolutionary Computational Aerosciences (RCA) project. Solution accuracy and large-scale parallel performance of the numerical framework is assessed with the goal of providing a viable paradigm for future high-fidelity flow physics simulations.
The Australian Computational Earth Systems Simulator
Mora, P.; Muhlhaus, H.; Lister, G.; Dyskin, A.; Place, D.; Appelbe, B.; Nimmervoll, N.; Abramson, D.
2001-12-01
Numerical simulation of the physics and dynamics of the entire earth system offers an outstanding opportunity for advancing earth system science and technology but represents a major challenge due to the range of scales and physical processes involved, as well as the magnitude of the software engineering effort required. However, new simulation and computer technologies are bringing this objective within reach. Under a special competitive national funding scheme to establish new Major National Research Facilities (MNRF), the Australian government together with a consortium of Universities and research institutions have funded construction of the Australian Computational Earth Systems Simulator (ACcESS). The Simulator or computational virtual earth will provide the research infrastructure to the Australian earth systems science community required for simulations of dynamical earth processes at scales ranging from microscopic to global. It will consist of thematic supercomputer infrastructure and an earth systems simulation software system. The Simulator models and software will be constructed over a five year period by a multi-disciplinary team of computational scientists, mathematicians, earth scientists, civil engineers and software engineers. The construction team will integrate numerical simulation models (3D discrete elements/lattice solid model, particle-in-cell large deformation finite-element method, stress reconstruction models, multi-scale continuum models etc) with geophysical, geological and tectonic models, through advanced software engineering and visualization technologies. When fully constructed, the Simulator aims to provide the software and hardware infrastructure needed to model solid earth phenomena including global scale dynamics and mineralisation processes, crustal scale processes including plate tectonics, mountain building, interacting fault system dynamics, and micro-scale processes that control the geological, physical and dynamic
Inversion based on computational simulations
International Nuclear Information System (INIS)
Hanson, K.M.; Cunningham, G.S.; Saquib, S.S.
1998-01-01
A standard approach to solving inversion problems that involve many parameters uses gradient-based optimization to find the parameters that best match the data. The authors discuss enabling techniques that facilitate application of this approach to large-scale computational simulations, which are the only way to investigate many complex physical phenomena. Such simulations may not seem to lend themselves to calculation of the gradient with respect to numerous parameters. However, adjoint differentiation allows one to efficiently compute the gradient of an objective function with respect to all the variables of a simulation. When combined with advanced gradient-based optimization algorithms, adjoint differentiation permits one to solve very large problems of optimization or parameter estimation. These techniques will be illustrated through the simulation of the time-dependent diffusion of infrared light through tissue, which has been used to perform optical tomography. The techniques discussed have a wide range of applicability to modeling including the optimization of models to achieve a desired design goal
Characteristics of Tornado-Like Vortices Simulated in a Large-Scale Ward-Type Simulator
Tang, Zhuo; Feng, Changda; Wu, Liang; Zuo, Delong; James, Darryl L.
2018-02-01
Tornado-like vortices are simulated in a large-scale Ward-type simulator to further advance the understanding of such flows, and to facilitate future studies of tornado wind loading on structures. Measurements of the velocity fields near the simulator floor and the resulting floor surface pressures are interpreted to reveal the mean and fluctuating characteristics of the flow as well as the characteristics of the static-pressure deficit. We focus on the manner in which the swirl ratio and the radial Reynolds number affect these characteristics. The transition of the tornado-like flow from a single-celled vortex to a dual-celled vortex with increasing swirl ratio and the impact of this transition on the flow field and the surface-pressure deficit are closely examined. The mean characteristics of the surface-pressure deficit caused by tornado-like vortices simulated at a number of swirl ratios compare well with the corresponding characteristics recorded during full-scale tornadoes.
Believability in simplifications of large scale physically based simulation
Han, Donghui; Hsu, Shu-wei; McNamara, Ann; Keyser, John
2013-01-01
We verify two hypotheses which are assumed to be true only intuitively in many rigid body simulations. I: In large scale rigid body simulation, viewers may not be able to perceive distortion incurred by an approximated simulation method. II: Fixing objects under a pile of objects does not affect the visual plausibility. Visual plausibility of scenarios simulated with these hypotheses assumed true are measured using subjective rating from viewers. As expected, analysis of results supports the truthfulness of the hypotheses under certain simulation environments. However, our analysis discovered four factors which may affect the authenticity of these hypotheses: number of collisions simulated simultaneously, homogeneity of colliding object pairs, distance from scene under simulation to camera position, and simulation method used. We also try to find an objective metric of visual plausibility from eye-tracking data collected from viewers. Analysis of these results indicates that eye-tracking does not present a suitable proxy for measuring plausibility or distinguishing between types of simulations. © 2013 ACM.
Large Scale Simulations of the Euler Equations on GPU Clusters
Liebmann, Manfred; Douglas, Craig C.; Haase, Gundolf; Horvá th, Zoltá n
2010-01-01
The paper investigates the scalability of a parallel Euler solver, using the Vijayasundaram method, on a GPU cluster with 32 Nvidia Geforce GTX 295 boards. The aim of this research is to enable large scale fluid dynamics simulations with up to one
A dynamic global-coefficient mixed subgrid-scale model for large-eddy simulation of turbulent flows
International Nuclear Information System (INIS)
Singh, Satbir; You, Donghyun
2013-01-01
Highlights: ► A new SGS model is developed for LES of turbulent flows in complex geometries. ► A dynamic global-coefficient SGS model is coupled with a scale-similarity model. ► Overcome some of difficulties associated with eddy-viscosity closures. ► Does not require averaging or clipping of the model coefficient for stabilization. ► The predictive capability is demonstrated in a number of turbulent flow simulations. -- Abstract: A dynamic global-coefficient mixed subgrid-scale eddy-viscosity model for large-eddy simulation of turbulent flows in complex geometries is developed. In the present model, the subgrid-scale stress is decomposed into the modified Leonard stress, cross stress, and subgrid-scale Reynolds stress. The modified Leonard stress is explicitly computed assuming a scale similarity, while the cross stress and the subgrid-scale Reynolds stress are modeled using the global-coefficient eddy-viscosity model. The model coefficient is determined by a dynamic procedure based on the global-equilibrium between the subgrid-scale dissipation and the viscous dissipation. The new model relieves some of the difficulties associated with an eddy-viscosity closure, such as the nonalignment of the principal axes of the subgrid-scale stress tensor and the strain rate tensor and the anisotropy of turbulent flow fields, while, like other dynamic global-coefficient models, it does not require averaging or clipping of the model coefficient for numerical stabilization. The combination of the global-coefficient eddy-viscosity model and a scale-similarity model is demonstrated to produce improved predictions in a number of turbulent flow simulations
GPU-Accelerated Sparse Matrix Solvers for Large-Scale Simulations, Phase I
National Aeronautics and Space Administration — Many large-scale numerical simulations can be broken down into common mathematical routines. While the applications may differ, the need to perform functions such as...
Xerxes D. Arsiwalla; Riccardo eZucca; Alberto eBetella; Enrique eMartinez; David eDalmazzo; Pedro eOmedas; Gustavo eDeco; Gustavo eDeco; Paul F.M.J. Verschure; Paul F.M.J. Verschure
2015-01-01
BrainX3 is a large-scale simulation of human brain activity with real-time interaction, rendered in 3D in a virtual reality environment, which combines computational power with human intuition for the exploration and analysis of complex dynamical networks. We ground this simulation on structural connectivity obtained from diffusion spectrum imaging data and model it on neuronal population dynamics. Users can interact with BrainX3 in real-time by perturbing brain regions with transient stimula...
Arsiwalla, Xerxes D.; Zucca, Riccardo; Betella, Alberto; Martínez, Enrique, 1961-; Dalmazzo, David; Omedas, Pedro; Deco, Gustavo; Verschure, Paul F. M. J.
2015-01-01
BrainX3 is a large-scale simulation of human brain activity with real-time interaction, rendered in 3D in a virtual reality environment, which combines computational power with human intuition for the exploration and analysis of complex dynamical networks. We ground this simulation on structural connectivity obtained from diffusion spectrum imaging data and model it on neuronal population dynamics. Users can interact with BrainX3 in real-time by perturbing brain regions with transient stimula...
Simulation test of PIUS-type reactor with large scale experimental apparatus
International Nuclear Information System (INIS)
Tamaki, M.; Tsuji, Y.; Ito, T.; Tasaka, K.; Kukita, Yutaka
1995-01-01
A large scale experimental apparatus for simulating the PIUS-type reactor has been constructed keeping the volumetric scaling ratio to the realistic reactor model. Fundamental experiments such as a steady state operation and a pump trip simulation were performed. Experimental results were compared with those obtained by the small scale apparatus in JAERI. We have already reported the effectiveness of the feedback control for the primary loop pump speed (PI control) for the stable operation. In this paper this feedback system is modified and the PID control is introduced. This new system worked well for the operation of the PIUS-type reactor even in a rapid transient condition. (author)
Experimental simulation of microinteractions in large scale explosions
Energy Technology Data Exchange (ETDEWEB)
Chen, X.; Luo, R.; Yuen, W.W.; Theofanous, T.G. [California Univ., Santa Barbara, CA (United States). Center for Risk Studies and Safety
1998-01-01
This paper presents data and analysis of recent experiments conducted in the SIGMA-2000 facility to simulate microinteractions in large scale explosions. Specifically, the fragmentation behavior of a high temperature molten steel drop under high pressure (beyond critical) conditions are investigated. The current data demonstrate, for the first time, the effect of high pressure in suppressing the thermal effect of fragmentation under supercritical conditions. The results support the microinteractions idea, and the ESPROSE.m prediction of fragmentation rate. (author)
Hogrefe, Christian; Liu, Peng; Pouliot, George; Mathur, Rohit; Roselle, Shawn; Flemming, Johannes; Lin, Meiyun; Park, Rokjin J.
2018-03-01
from the global models along the CMAQ boundaries. Using boundary conditions from AM3 yielded higher springtime ozone columns burdens in the middle and lower troposphere compared to boundary conditions from the other models. For surface ozone, the differences between the AM3-driven CMAQ simulations and the CMAQ simulations driven by other large-scale models are especially pronounced during spring and winter where they can reach more than 10 ppb for seasonal mean ozone mixing ratios and as much as 15 ppb for domain-averaged daily maximum 8 h average ozone on individual days. In contrast, the differences between the C-IFS-, GEOS-Chem-, and H-CMAQ-driven regional-scale CMAQ simulations are typically smaller. Comparing simulated surface ozone mixing ratios to observations and computing seasonal and regional model performance statistics revealed that boundary conditions can have a substantial impact on model performance. Further analysis showed that boundary conditions can affect model performance across the entire range of the observed distribution, although the impacts tend to be lower during summer and for the very highest observed percentiles. The results are discussed in the context of future model development and analysis opportunities.
International Nuclear Information System (INIS)
Barsamian, H.R.; Hassan, Y.A.
1996-01-01
Turbulence is one of the most commonly occurring phenomena of engineering interest in the field of fluid mechanics. Since most flows are turbulent, there is a significant payoff for improved predictive models of turbulence. One area of concern is the turbulent buffeting forces experienced by the tubes in steam generators of nuclear power plants. Although the Navier-Stokes equations are able to describe turbulent flow fields, the large number of scales of turbulence limit practical flow field calculations with current computing power. The dynamic subgrid scale closure model of Germano et. al (1991) is used in the large eddy simulation code GUST for incompressible isothermal flows. Tube bundle geometries of staggered and non-staggered arrays are considered in deep bundle simulations. The advantage of the dynamic subgrid scale model is the exclusion of an input model coefficient. The model coefficient is evaluated dynamically for each nodal location in the flow domain. Dynamic subgrid scale results are obtained in the form of power spectral densities and flow visualization of turbulent characteristics. Comparisons are performed among the dynamic subgrid scale model, the Smagorinsky eddy viscosity model (Smagorinsky, 1963) (that is used as the base model for the dynamic subgrid scale model) and available experimental data. Spectral results of the dynamic subgrid scale model correlate better with experimental data. Satisfactory turbulence characteristics are observed through flow visualization
International Nuclear Information System (INIS)
Takei, Toshifumi; Doi, Shun; Matsumoto, Hideki; Muramatsu, Kazuhiro
2000-01-01
We have developed a concurrent visualization system RVSLIB (Real-time Visual Simulation Library). This paper shows the effectiveness of the system when it is applied to large-scale unsteady simulations, for which the conventional post-processing approach may no longer work, on high-performance parallel vector supercomputers. The system performs almost all of the visualization tasks on a computation server and uses compressed visualized image data for efficient communication between the server and the user terminal. We have introduced several techniques, including vectorization and parallelization, into the system to minimize the computational costs of the visualization tools. The performance of RVSLIB was evaluated by using an actual CFD code on an NEC SX-4. The computational time increase due to the concurrent visualization was at most 3% for a smaller (1.6 million) grid and less than 1% for a larger (6.2 million) one. (author)
The Convergence of High Performance Computing and Large Scale Data Analytics
Duffy, D.; Bowen, M. K.; Thompson, J. H.; Yang, C. P.; Hu, F.; Wills, B.
2015-12-01
As the combinations of remote sensing observations and model outputs have grown, scientists are increasingly burdened with both the necessity and complexity of large-scale data analysis. Scientists are increasingly applying traditional high performance computing (HPC) solutions to solve their "Big Data" problems. While this approach has the benefit of limiting data movement, the HPC system is not optimized to run analytics, which can create problems that permeate throughout the HPC environment. To solve these issues and to alleviate some of the strain on the HPC environment, the NASA Center for Climate Simulation (NCCS) has created the Advanced Data Analytics Platform (ADAPT), which combines both HPC and cloud technologies to create an agile system designed for analytics. Large, commonly used data sets are stored in this system in a write once/read many file system, such as Landsat, MODIS, MERRA, and NGA. High performance virtual machines are deployed and scaled according to the individual scientist's requirements specifically for data analysis. On the software side, the NCCS and GMU are working with emerging commercial technologies and applying them to structured, binary scientific data in order to expose the data in new ways. Native NetCDF data is being stored within a Hadoop Distributed File System (HDFS) enabling storage-proximal processing through MapReduce while continuing to provide accessibility of the data to traditional applications. Once the data is stored within HDFS, an additional indexing scheme is built on top of the data and placed into a relational database. This spatiotemporal index enables extremely fast mappings of queries to data locations to dramatically speed up analytics. These are some of the first steps toward a single unified platform that optimizes for both HPC and large-scale data analysis, and this presentation will elucidate the resulting and necessary exascale architectures required for future systems.
SIMON: Remote collaboration system based on large scale simulation
International Nuclear Information System (INIS)
Sugawara, Akihiro; Kishimoto, Yasuaki
2003-01-01
Development of SIMON (SImulation MONitoring) system is described. SIMON aims to investigate many physical phenomena of tokamak type nuclear fusion plasma by simulation and to exchange information and to carry out joint researches with scientists in the world using internet. The characteristics of SIMON are followings; 1) decrease load of simulation by trigger sending method, 2) visualization of simulation results and hierarchical structure of analysis, 3) decrease of number of license by using command line when software is used, 4) improvement of support for using network of simulation data output by use of HTML (Hyper Text Markup Language), 5) avoidance of complex built-in work in client part and 6) small-sized and portable software. The visualization method of large scale simulation, remote collaboration system by HTML, trigger sending method, hierarchical analytical method, introduction into three-dimensional electromagnetic transportation code and technologies of SIMON system are explained. (S.Y.)
Extremely Scalable Spiking Neuronal Network Simulation Code: From Laptops to Exascale Computers
Jordan, Jakob; Ippen, Tammo; Helias, Moritz; Kitayama, Itaru; Sato, Mitsuhisa; Igarashi, Jun; Diesmann, Markus; Kunkel, Susanne
2018-01-01
State-of-the-art software tools for neuronal network simulations scale to the largest computing systems available today and enable investigations of large-scale networks of up to 10 % of the human cortex at a resolution of individual neurons and synapses. Due to an upper limit on the number of incoming connections of a single neuron, network connectivity becomes extremely sparse at this scale. To manage computational costs, simulation software ultimately targeting the brain scale needs to fully exploit this sparsity. Here we present a two-tier connection infrastructure and a framework for directed communication among compute nodes accounting for the sparsity of brain-scale networks. We demonstrate the feasibility of this approach by implementing the technology in the NEST simulation code and we investigate its performance in different scaling scenarios of typical network simulations. Our results show that the new data structures and communication scheme prepare the simulation kernel for post-petascale high-performance computing facilities without sacrificing performance in smaller systems. PMID:29503613
Extremely Scalable Spiking Neuronal Network Simulation Code: From Laptops to Exascale Computers.
Jordan, Jakob; Ippen, Tammo; Helias, Moritz; Kitayama, Itaru; Sato, Mitsuhisa; Igarashi, Jun; Diesmann, Markus; Kunkel, Susanne
2018-01-01
State-of-the-art software tools for neuronal network simulations scale to the largest computing systems available today and enable investigations of large-scale networks of up to 10 % of the human cortex at a resolution of individual neurons and synapses. Due to an upper limit on the number of incoming connections of a single neuron, network connectivity becomes extremely sparse at this scale. To manage computational costs, simulation software ultimately targeting the brain scale needs to fully exploit this sparsity. Here we present a two-tier connection infrastructure and a framework for directed communication among compute nodes accounting for the sparsity of brain-scale networks. We demonstrate the feasibility of this approach by implementing the technology in the NEST simulation code and we investigate its performance in different scaling scenarios of typical network simulations. Our results show that the new data structures and communication scheme prepare the simulation kernel for post-petascale high-performance computing facilities without sacrificing performance in smaller systems.
Extremely Scalable Spiking Neuronal Network Simulation Code: From Laptops to Exascale Computers
Directory of Open Access Journals (Sweden)
Jakob Jordan
2018-02-01
Full Text Available State-of-the-art software tools for neuronal network simulations scale to the largest computing systems available today and enable investigations of large-scale networks of up to 10 % of the human cortex at a resolution of individual neurons and synapses. Due to an upper limit on the number of incoming connections of a single neuron, network connectivity becomes extremely sparse at this scale. To manage computational costs, simulation software ultimately targeting the brain scale needs to fully exploit this sparsity. Here we present a two-tier connection infrastructure and a framework for directed communication among compute nodes accounting for the sparsity of brain-scale networks. We demonstrate the feasibility of this approach by implementing the technology in the NEST simulation code and we investigate its performance in different scaling scenarios of typical network simulations. Our results show that the new data structures and communication scheme prepare the simulation kernel for post-petascale high-performance computing facilities without sacrificing performance in smaller systems.
Deterministic sensitivity and uncertainty analysis for large-scale computer models
International Nuclear Information System (INIS)
Worley, B.A.; Pin, F.G.; Oblow, E.M.; Maerker, R.E.; Horwedel, J.E.; Wright, R.Q.
1988-01-01
This paper presents a comprehensive approach to sensitivity and uncertainty analysis of large-scale computer models that is analytic (deterministic) in principle and that is firmly based on the model equations. The theory and application of two systems based upon computer calculus, GRESS and ADGEN, are discussed relative to their role in calculating model derivatives and sensitivities without a prohibitive initial manpower investment. Storage and computational requirements for these two systems are compared for a gradient-enhanced version of the PRESTO-II computer model. A Deterministic Uncertainty Analysis (DUA) method that retains the characteristics of analytically computing result uncertainties based upon parameter probability distributions is then introduced and results from recent studies are shown. 29 refs., 4 figs., 1 tab
Institute of Scientific and Technical Information of China (English)
Zhenyu ZHANG; Ning ZHAO; Wei ZHONG; Long WANG; Bofeng XU
2016-01-01
The computational ?uid dynamics (CFD) methods are applied to aerody-namic problems for large scale wind turbines. The progresses including the aerodynamic analyses of wind turbine pro?les, numerical ?ow simulation of wind turbine blades, evalu-ation of aerodynamic performance, and multi-objective blade optimization are discussed. Based on the CFD methods, signi?cant improvements are obtained to predict two/three-dimensional aerodynamic characteristics of wind turbine airfoils and blades, and the vorti-cal structure in their wake ?ows is accurately captured. Combining with a multi-objective genetic algorithm, a 1.5 MW NH-1500 optimized blade is designed with high e?ciency in wind energy conversion.
Tang, Shuaiqi; Zhang, Minghua; Xie, Shaocheng
2017-08-01
Large-scale forcing data, such as vertical velocity and advective tendencies, are required to drive single-column models (SCMs), cloud-resolving models, and large-eddy simulations. Previous studies suggest that some errors of these model simulations could be attributed to the lack of spatial variability in the specified domain-mean large-scale forcing. This study investigates the spatial variability of the forcing and explores its impact on SCM simulated precipitation and clouds. A gridded large-scale forcing data during the March 2000 Cloud Intensive Operational Period at the Atmospheric Radiation Measurement program's Southern Great Plains site is used for analysis and to drive the single-column version of the Community Atmospheric Model Version 5 (SCAM5). When the gridded forcing data show large spatial variability, such as during a frontal passage, SCAM5 with the domain-mean forcing is not able to capture the convective systems that are partly located in the domain or that only occupy part of the domain. This problem has been largely reduced by using the gridded forcing data, which allows running SCAM5 in each subcolumn and then averaging the results within the domain. This is because the subcolumns have a better chance to capture the timing of the frontal propagation and the small-scale systems. Other potential uses of the gridded forcing data, such as understanding and testing scale-aware parameterizations, are also discussed.
Parallel simulation of tsunami inundation on a large-scale supercomputer
Oishi, Y.; Imamura, F.; Sugawara, D.
2013-12-01
An accurate prediction of tsunami inundation is important for disaster mitigation purposes. One approach is to approximate the tsunami wave source through an instant inversion analysis using real-time observation data (e.g., Tsushima et al., 2009) and then use the resulting wave source data in an instant tsunami inundation simulation. However, a bottleneck of this approach is the large computational cost of the non-linear inundation simulation and the computational power of recent massively parallel supercomputers is helpful to enable faster than real-time execution of a tsunami inundation simulation. Parallel computers have become approximately 1000 times faster in 10 years (www.top500.org), and so it is expected that very fast parallel computers will be more and more prevalent in the near future. Therefore, it is important to investigate how to efficiently conduct a tsunami simulation on parallel computers. In this study, we are targeting very fast tsunami inundation simulations on the K computer, currently the fastest Japanese supercomputer, which has a theoretical peak performance of 11.2 PFLOPS. One computing node of the K computer consists of 1 CPU with 8 cores that share memory, and the nodes are connected through a high-performance torus-mesh network. The K computer is designed for distributed-memory parallel computation, so we have developed a parallel tsunami model. Our model is based on TUNAMI-N2 model of Tohoku University, which is based on a leap-frog finite difference method. A grid nesting scheme is employed to apply high-resolution grids only at the coastal regions. To balance the computation load of each CPU in the parallelization, CPUs are first allocated to each nested layer in proportion to the number of grid points of the nested layer. Using CPUs allocated to each layer, 1-D domain decomposition is performed on each layer. In the parallel computation, three types of communication are necessary: (1) communication to adjacent neighbours for the
Large-scale tropospheric transport in the Chemistry-Climate Model Initiative (CCMI) simulations
Orbe, Clara; Yang, Huang; Waugh, Darryn W.; Zeng, Guang; Morgenstern, Olaf; Kinnison, Douglas E.; Lamarque, Jean-Francois; Tilmes, Simone; Plummer, David A.; Scinocca, John F.; Josse, Beatrice; Marecal, Virginie; Jöckel, Patrick; Oman, Luke D.; Strahan, Susan E.; Deushi, Makoto; Tanaka, Taichu Y.; Yoshida, Kohei; Akiyoshi, Hideharu; Yamashita, Yousuke; Stenke, Andreas; Revell, Laura; Sukhodolov, Timofei; Rozanov, Eugene; Pitari, Giovanni; Visioni, Daniele; Stone, Kane A.; Schofield, Robyn; Banerjee, Antara
2018-05-01
Understanding and modeling the large-scale transport of trace gases and aerosols is important for interpreting past (and projecting future) changes in atmospheric composition. Here we show that there are large differences in the global-scale atmospheric transport properties among the models participating in the IGAC SPARC Chemistry-Climate Model Initiative (CCMI). Specifically, we find up to 40 % differences in the transport timescales connecting the Northern Hemisphere (NH) midlatitude surface to the Arctic and to Southern Hemisphere high latitudes, where the mean age ranges between 1.7 and 2.6 years. We show that these differences are related to large differences in vertical transport among the simulations, in particular to differences in parameterized convection over the oceans. While stronger convection over NH midlatitudes is associated with slower transport to the Arctic, stronger convection in the tropics and subtropics is associated with faster interhemispheric transport. We also show that the differences among simulations constrained with fields derived from the same reanalysis products are as large as (and in some cases larger than) the differences among free-running simulations, most likely due to larger differences in parameterized convection. Our results indicate that care must be taken when using simulations constrained with analyzed winds to interpret the influence of meteorology on tropospheric composition.
Large-scale tropospheric transport in the Chemistry–Climate Model Initiative (CCMI simulations
Directory of Open Access Journals (Sweden)
C. Orbe
2018-05-01
Full Text Available Understanding and modeling the large-scale transport of trace gases and aerosols is important for interpreting past (and projecting future changes in atmospheric composition. Here we show that there are large differences in the global-scale atmospheric transport properties among the models participating in the IGAC SPARC Chemistry–Climate Model Initiative (CCMI. Specifically, we find up to 40 % differences in the transport timescales connecting the Northern Hemisphere (NH midlatitude surface to the Arctic and to Southern Hemisphere high latitudes, where the mean age ranges between 1.7 and 2.6 years. We show that these differences are related to large differences in vertical transport among the simulations, in particular to differences in parameterized convection over the oceans. While stronger convection over NH midlatitudes is associated with slower transport to the Arctic, stronger convection in the tropics and subtropics is associated with faster interhemispheric transport. We also show that the differences among simulations constrained with fields derived from the same reanalysis products are as large as (and in some cases larger than the differences among free-running simulations, most likely due to larger differences in parameterized convection. Our results indicate that care must be taken when using simulations constrained with analyzed winds to interpret the influence of meteorology on tropospheric composition.
Using Agent Base Models to Optimize Large Scale Network for Large System Inventories
Shameldin, Ramez Ahmed; Bowling, Shannon R.
2010-01-01
The aim of this paper is to use Agent Base Models (ABM) to optimize large scale network handling capabilities for large system inventories and to implement strategies for the purpose of reducing capital expenses. The models used in this paper either use computational algorithms or procedure implementations developed by Matlab to simulate agent based models in a principal programming language and mathematical theory using clusters, these clusters work as a high performance computational performance to run the program in parallel computational. In both cases, a model is defined as compilation of a set of structures and processes assumed to underlie the behavior of a network system.
Multi-Agent System Supporting Automated Large-Scale Photometric Computations
Directory of Open Access Journals (Sweden)
Adam Sȩdziwy
2016-02-01
Full Text Available The technologies related to green energy, smart cities and similar areas being dynamically developed in recent years, face frequently problems of a computational nature rather than a technological one. The example is the ability of accurately predicting the weather conditions for PV farms or wind turbines. Another group of issues is related to the complexity of the computations required to obtain an optimal setup of a solution being designed. In this article, we present the case representing the latter group of problems, namely designing large-scale power-saving lighting installations. The term “large-scale” refers to an entire city area, containing tens of thousands of luminaires. Although a simple power reduction for a single street, giving limited savings, is relatively easy, it becomes infeasible for tasks covering thousands of luminaires described by precise coordinates (instead of simplified layouts. To overcome this critical issue, we propose introducing a formal representation of a computing problem and applying a multi-agent system to perform design-related computations in parallel. The important measure introduced in the article indicating optimization progress is entropy. It also allows for terminating optimization when the solution is satisfying. The article contains the results of real-life calculations being made with the help of the presented approach.
Review of Dynamic Modeling and Simulation of Large Scale Belt Conveyor System
He, Qing; Li, Hong
Belt conveyor is one of the most important devices to transport bulk-solid material for long distance. Dynamic analysis is the key to decide whether the design is rational in technique, safe and reliable in running, feasible in economy. It is very important to study dynamic properties, improve efficiency and productivity, guarantee conveyor safe, reliable and stable running. The dynamic researches and applications of large scale belt conveyor are discussed. The main research topics, the state-of-the-art of dynamic researches on belt conveyor are analyzed. The main future works focus on dynamic analysis, modeling and simulation of main components and whole system, nonlinear modeling, simulation and vibration analysis of large scale conveyor system.
Aero-Acoustic Modelling using Large Eddy Simulation
International Nuclear Information System (INIS)
Shen, W Z; Soerensen, J N
2007-01-01
The splitting technique for aero-acoustic computations is extended to simulate three-dimensional flow and acoustic waves from airfoils. The aero-acoustic model is coupled to a sub-grid-scale turbulence model for Large-Eddy Simulations. In the first test case, the model is applied to compute laminar flow past a NACA 0015 airfoil at a Reynolds number of 800, a Mach number of 0.2 and an angle of attack of 20 deg. The model is then applied to compute turbulent flow past a NACA 0015 airfoil at a Reynolds number of 100 000, a Mach number of 0.2 and an angle of attack of 20 deg. The predicted noise spectrum is compared to experimental data
Johnston, William E.; Gannon, Dennis; Nitzberg, Bill
2000-01-01
We use the term "Grid" to refer to distributed, high performance computing and data handling infrastructure that incorporates geographically and organizationally dispersed, heterogeneous resources that are persistent and supported. This infrastructure includes: (1) Tools for constructing collaborative, application oriented Problem Solving Environments / Frameworks (the primary user interfaces for Grids); (2) Programming environments, tools, and services providing various approaches for building applications that use aggregated computing and storage resources, and federated data sources; (3) Comprehensive and consistent set of location independent tools and services for accessing and managing dynamic collections of widely distributed resources: heterogeneous computing systems, storage systems, real-time data sources and instruments, human collaborators, and communications systems; (4) Operational infrastructure including management tools for distributed systems and distributed resources, user services, accounting and auditing, strong and location independent user authentication and authorization, and overall system security services The vision for NASA's Information Power Grid - a computing and data Grid - is that it will provide significant new capabilities to scientists and engineers by facilitating routine construction of information based problem solving environments / frameworks. Such Grids will knit together widely distributed computing, data, instrument, and human resources into just-in-time systems that can address complex and large-scale computing and data analysis problems. Examples of these problems include: (1) Coupled, multidisciplinary simulations too large for single systems (e.g., multi-component NPSS turbomachine simulation); (2) Use of widely distributed, federated data archives (e.g., simultaneous access to metrological, topological, aircraft performance, and flight path scheduling databases supporting a National Air Space Simulation systems}; (3
Canuto, V. M.
1994-01-01
The Reynolds numbers that characterize geophysical and astrophysical turbulence (Re approximately equals 10(exp 8) for the planetary boundary layer and Re approximately equals 10(exp 14) for the Sun's interior) are too large to allow a direct numerical simulation (DNS) of the fundamental Navier-Stokes and temperature equations. In fact, the spatial number of grid points N approximately Re(exp 9/4) exceeds the computational capability of today's supercomputers. Alternative treatments are the ensemble-time average approach, and/or the volume average approach. Since the first method (Reynolds stress approach) is largely analytical, the resulting turbulence equations entail manageable computational requirements and can thus be linked to a stellar evolutionary code or, in the geophysical case, to general circulation models. In the volume average approach, one carries out a large eddy simulation (LES) which resolves numerically the largest scales, while the unresolved scales must be treated theoretically with a subgrid scale model (SGS). Contrary to the ensemble average approach, the LES+SGS approach has considerable computational requirements. Even if this prevents (for the time being) a LES+SGS model to be linked to stellar or geophysical codes, it is still of the greatest relevance as an 'experimental tool' to be used, inter alia, to improve the parameterizations needed in the ensemble average approach. Such a methodology has been successfully adopted in studies of the convective planetary boundary layer. Experienc e with the LES+SGS approach from different fields has shown that its reliability depends on the healthiness of the SGS model for numerical stability as well as for physical completeness. At present, the most widely used SGS model, the Smagorinsky model, accounts for the effect of the shear induced by the large resolved scales on the unresolved scales but does not account for the effects of buoyancy, anisotropy, rotation, and stable stratification. The
Calderer, Antoni; Guo, Xin; Shen, Lian; Sotiropoulos, Fotis
2018-02-01
We develop a numerical method for simulating coupled interactions of complex floating structures with large-scale ocean waves and atmospheric turbulence. We employ an efficient large-scale model to develop offshore wind and wave environmental conditions, which are then incorporated into a high resolution two-phase flow solver with fluid-structure interaction (FSI). The large-scale wind-wave interaction model is based on a two-fluid dynamically-coupled approach that employs a high-order spectral method for simulating the water motion and a viscous solver with undulatory boundaries for the air motion. The two-phase flow FSI solver is based on the level set method and is capable of simulating the coupled dynamic interaction of arbitrarily complex bodies with airflow and waves. The large-scale wave field solver is coupled with the near-field FSI solver with a one-way coupling approach by feeding into the latter waves via a pressure-forcing method combined with the level set method. We validate the model for both simple wave trains and three-dimensional directional waves and compare the results with experimental and theoretical solutions. Finally, we demonstrate the capabilities of the new computational framework by carrying out large-eddy simulation of a floating offshore wind turbine interacting with realistic ocean wind and waves.
Pal, Abhro; Anupindi, Kameswararao; Delorme, Yann; Ghaisas, Niranjan; Shetty, Dinesh A; Frankel, Steven H
2014-07-01
In the present study, we performed large eddy simulation (LES) of axisymmetric, and 75% stenosed, eccentric arterial models with steady inflow conditions at a Reynolds number of 1000. The results obtained are compared with the direct numerical simulation (DNS) data (Varghese et al., 2007, "Direct Numerical Simulation of Stenotic Flows. Part 1. Steady Flow," J. Fluid Mech., 582, pp. 253-280). An inhouse code (WenoHemo) employing high-order numerical methods for spatial and temporal terms, along with a 2nd order accurate ghost point immersed boundary method (IBM) (Mark, and Vanwachem, 2008, "Derivation and Validation of a Novel Implicit Second-Order Accurate Immersed Boundary Method," J. Comput. Phys., 227(13), pp. 6660-6680) for enforcing boundary conditions on curved geometries is used for simulations. Three subgrid scale (SGS) models, namely, the classical Smagorinsky model (Smagorinsky, 1963, "General Circulation Experiments With the Primitive Equations," Mon. Weather Rev., 91(10), pp. 99-164), recently developed Vreman model (Vreman, 2004, "An Eddy-Viscosity Subgrid-Scale Model for Turbulent Shear Flow: Algebraic Theory and Applications," Phys. Fluids, 16(10), pp. 3670-3681), and the Sigma model (Nicoud et al., 2011, "Using Singular Values to Build a Subgrid-Scale Model for Large Eddy Simulations," Phys. Fluids, 23(8), 085106) are evaluated in the present study. Evaluation of SGS models suggests that the classical constant coefficient Smagorinsky model gives best agreement with the DNS data, whereas the Vreman and Sigma models predict an early transition to turbulence in the poststenotic region. Supplementary simulations are performed using Open source field operation and manipulation (OpenFOAM) ("OpenFOAM," http://www.openfoam.org/) solver and the results are inline with those obtained with WenoHemo.
An Axiomatic Analysis Approach for Large-Scale Disaster-Tolerant Systems Modeling
Directory of Open Access Journals (Sweden)
Theodore W. Manikas
2011-02-01
Full Text Available Disaster tolerance in computing and communications systems refers to the ability to maintain a degree of functionality throughout the occurrence of a disaster. We accomplish the incorporation of disaster tolerance within a system by simulating various threats to the system operation and identifying areas for system redesign. Unfortunately, extremely large systems are not amenable to comprehensive simulation studies due to the large computational complexity requirements. To address this limitation, an axiomatic approach that decomposes a large-scale system into smaller subsystems is developed that allows the subsystems to be independently modeled. This approach is implemented using a data communications network system example. The results indicate that the decomposition approach produces simulation responses that are similar to the full system approach, but with greatly reduced simulation time.
Evaluation of sub grid scale and local wall models in Large-eddy simulations of separated flow
Directory of Open Access Journals (Sweden)
Sam Ali Al
2015-01-01
Full Text Available The performance of the Sub Grid Scale models is studied by simulating a separated flow over a wavy channel. The first and second order statistical moments of the resolved velocities obtained by using Large-Eddy simulations at different mesh resolutions are compared with Direct Numerical Simulations data. The effectiveness of modeling the wall stresses by using local log-law is then tested on a relatively coarse grid. The results exhibit a good agreement between highly-resolved Large Eddy Simulations and Direct Numerical Simulations data regardless the Sub Grid Scale models. However, the agreement is less satisfactory with relatively coarse grid without using any wall models and the differences between Sub Grid Scale models are distinguishable. Using local wall model retuned the basic flow topology and reduced significantly the differences between the coarse meshed Large-Eddy Simulations and Direct Numerical Simulations data. The results show that the ability of local wall model to predict the separation zone depends strongly on its implementation way.
Advanced computational simulations of water waves interacting with wave energy converters
Pathak, Ashish; Freniere, Cole; Raessi, Mehdi
2017-03-01
Wave energy converter (WEC) devices harness the renewable ocean wave energy and convert it into useful forms of energy, e.g. mechanical or electrical. This paper presents an advanced 3D computational framework to study the interaction between water waves and WEC devices. The computational tool solves the full Navier-Stokes equations and considers all important effects impacting the device performance. To enable large-scale simulations in fast turnaround times, the computational solver was developed in an MPI parallel framework. A fast multigrid preconditioned solver is introduced to solve the computationally expensive pressure Poisson equation. The computational solver was applied to two surface-piercing WEC geometries: bottom-hinged cylinder and flap. Their numerically simulated response was validated against experimental data. Additional simulations were conducted to investigate the applicability of Froude scaling in predicting full-scale WEC response from the model experiments.
Development of the simulation package 'ELSES' for extra-large-scale electronic structure calculation
Energy Technology Data Exchange (ETDEWEB)
Hoshi, T [Department of Applied Mathematics and Physics, Tottori University, Tottori 680-8550 (Japan); Fujiwara, T [Core Research for Evolutional Science and Technology, Japan Science and Technology Agency (CREST-JST) (Japan)
2009-02-11
An early-stage version of the simulation package 'ELSES' (extra-large-scale electronic structure calculation) is developed for simulating the electronic structure and dynamics of large systems, particularly nanometer-scale and ten-nanometer-scale systems (see www.elses.jp). Input and output files are written in the extensible markup language (XML) style for general users. Related pre-/post-simulation tools are also available. A practical workflow and an example are described. A test calculation for the GaAs bulk system is shown, to demonstrate that the present code can handle systems with more than one atom species. Several future aspects are also discussed.
Sensitivity of the scale partition for variational multiscale large-eddy simulation of channel flow
Holmen, J.; Hughes, T.J.R.; Oberai, A.A.; Wells, G.N.
2004-01-01
The variational multiscale method has been shown to perform well for large-eddy simulation (LES) of turbulent flows. The method relies upon a partition of the resolved velocity field into large- and small-scale components. The subgrid model then acts only on the small scales of motion, unlike
International Nuclear Information System (INIS)
Zhang, B.; Li, G.; Wang, W.; Shangguan, D.; Deng, L.
2015-01-01
This paper introduces the Strategy of multilevel hybrid parallelism of JCOGIN Infrastructure on Monte Carlo Particle Transport for the large-scale full-core pin-by-pin simulations. The particle parallelism, domain decomposition parallelism and MPI/OpenMP parallelism are designed and implemented. By the testing, JMCT presents the parallel scalability of JCOGIN, which reaches the parallel efficiency 80% on 120,000 cores for the pin-by-pin computation of the BEAVRS benchmark. (author)
Large-Scale Compute-Intensive Analysis via a Combined In-situ and Co-scheduling Workflow Approach
Energy Technology Data Exchange (ETDEWEB)
Messer, Bronson [ORNL; Sewell, Christopher [Los Alamos National Laboratory (LANL); Heitmann, Katrin [ORNL; Finkel, Dr. Hal J [Argonne National Laboratory (ANL); Fasel, Patricia [Los Alamos National Laboratory (LANL); Zagaris, George [Lawrence Livermore National Laboratory (LLNL); Pope, Adrian [Los Alamos National Laboratory (LANL); Habib, Salman [ORNL; Parete-Koon, Suzanne T [ORNL
2015-01-01
Large-scale simulations can produce tens of terabytes of data per analysis cycle, complicating and limiting the efficiency of workflows. Traditionally, outputs are stored on the file system and analyzed in post-processing. With the rapidly increasing size and complexity of simulations, this approach faces an uncertain future. Trending techniques consist of performing the analysis in situ, utilizing the same resources as the simulation, and/or off-loading subsets of the data to a compute-intensive analysis system. We introduce an analysis framework developed for HACC, a cosmological N-body code, that uses both in situ and co-scheduling approaches for handling Petabyte-size outputs. An initial in situ step is used to reduce the amount of data to be analyzed, and to separate out the data-intensive tasks handled off-line. The analysis routines are implemented using the PISTON/VTK-m framework, allowing a single implementation of an algorithm that simultaneously targets a variety of GPU, multi-core, and many-core architectures.
Computer simulations of the random barrier model
DEFF Research Database (Denmark)
Schrøder, Thomas; Dyre, Jeppe
2002-01-01
A brief review of experimental facts regarding ac electronic and ionic conduction in disordered solids is given followed by a discussion of what is perhaps the simplest realistic model, the random barrier model (symmetric hopping model). Results from large scale computer simulations are presented...
Large-Eddy Simulation of Internal Flow through Human Vocal Folds
Lasota, Martin; Šidlof, Petr
2018-06-01
The phonatory process occurs when air is expelled from the lungs through the glottis and the pressure drop causes flow-induced oscillations of the vocal folds. The flow fields created in phonation are highly unsteady and the coherent vortex structures are also generated. For accuracy it is essential to compute on humanlike computational domain and appropriate mathematical model. The work deals with numerical simulation of air flow within the space between plicae vocales and plicae vestibulares. In addition to the dynamic width of the rima glottidis, where the sound is generated, there are lateral ventriculus laryngis and sacculus laryngis included in the computational domain as well. The paper presents the results from OpenFOAM which are obtained with a large-eddy simulation using second-order finite volume discretization of incompressible Navier-Stokes equations. Large-eddy simulations with different subgrid scale models are executed on structured mesh. In these cases are used only the subgrid scale models which model turbulence via turbulent viscosity and Boussinesq approximation in subglottal and supraglottal area in larynx.
Large-Eddy Simulation of Internal Flow through Human Vocal Folds
Directory of Open Access Journals (Sweden)
Lasota Martin
2018-01-01
Full Text Available The phonatory process occurs when air is expelled from the lungs through the glottis and the pressure drop causes flow-induced oscillations of the vocal folds. The flow fields created in phonation are highly unsteady and the coherent vortex structures are also generated. For accuracy it is essential to compute on humanlike computational domain and appropriate mathematical model. The work deals with numerical simulation of air flow within the space between plicae vocales and plicae vestibulares. In addition to the dynamic width of the rima glottidis, where the sound is generated, there are lateral ventriculus laryngis and sacculus laryngis included in the computational domain as well. The paper presents the results from OpenFOAM which are obtained with a large-eddy simulation using second-order finite volume discretization of incompressible Navier-Stokes equations. Large-eddy simulations with different subgrid scale models are executed on structured mesh. In these cases are used only the subgrid scale models which model turbulence via turbulent viscosity and Boussinesq approximation in subglottal and supraglottal area in larynx.
Dynamic subgrid scale model of large eddy simulation of cross bundle flows
International Nuclear Information System (INIS)
Hassan, Y.A.; Barsamian, H.R.
1996-01-01
The dynamic subgrid scale closure model of Germano et. al (1991) is used in the large eddy simulation code GUST for incompressible isothermal flows. Tube bundle geometries of staggered and non-staggered arrays are considered in deep bundle simulations. The advantage of the dynamic subgrid scale model is the exclusion of an input model coefficient. The model coefficient is evaluated dynamically for each nodal location in the flow domain. Dynamic subgrid scale results are obtained in the form of power spectral densities and flow visualization of turbulent characteristics. Comparisons are performed among the dynamic subgrid scale model, the Smagorinsky eddy viscosity model (that is used as the base model for the dynamic subgrid scale model) and available experimental data. Spectral results of the dynamic subgrid scale model correlate better with experimental data. Satisfactory turbulence characteristics are observed through flow visualization
Development of computational science in JAEA. R and D of simulation
International Nuclear Information System (INIS)
Nakajima, Norihiro; Araya, Fumimasa; Hirayama, Toshio
2006-01-01
R and D of computational science in JAEA (Japan Atomic Energy Agency) is described. Environment of computer, R and D system in CCSE (Center for Computational Science and e-Systems), joint computational science researches in Japan and world, development of computer technologies, the some examples of simulation researches, 3-dimensional image vibrational platform system, simulation researches of FBR cycle techniques, simulation of large scale thermal stress for development of steam generator, simulation research of fusion energy techniques, development of grid computing technology, simulation research of quantum beam techniques and biological molecule simulation researches are explained. Organization of JAEA, development of computational science in JAEA, network of JAEA, international collaboration of computational science, and environment of ITBL (Information-Technology Based Laboratory) project are illustrated. (S.Y.)
Challenges in scaling NLO generators to leadership computers
Benjamin, D.; Childers, JT; Hoeche, S.; LeCompte, T.; Uram, T.
2017-10-01
Exascale computing resources are roughly a decade away and will be capable of 100 times more computing than current supercomputers. In the last year, Energy Frontier experiments crossed a milestone of 100 million core-hours used at the Argonne Leadership Computing Facility, Oak Ridge Leadership Computing Facility, and NERSC. The Fortran-based leading-order parton generator called Alpgen was successfully scaled to millions of threads to achieve this level of usage on Mira. Sherpa and MadGraph are next-to-leading order generators used heavily by LHC experiments for simulation. Integration times for high-multiplicity or rare processes can take a week or more on standard Grid machines, even using all 16-cores. We will describe our ongoing work to scale the Sherpa generator to thousands of threads on leadership-class machines and reduce run-times to less than a day. This work allows the experiments to leverage large-scale parallel supercomputers for event generation today, freeing tens of millions of grid hours for other work, and paving the way for future applications (simulation, reconstruction) on these and future supercomputers.
Navier-Stokes Simulation of Airconditioning Facility of a Large Modem Computer Room
2005-01-01
NASA recently assembled one of the world's fastest operational supercomputers to meet the agency's new high performance computing needs. This large-scale system, named Columbia, consists of 20 interconnected SGI Altix 512-processor systems, for a total of 10,240 Intel Itanium-2 processors. High-fidelity CFD simulations were performed for the NASA Advanced Supercomputing (NAS) computer room at Ames Research Center. The purpose of the simulations was to assess the adequacy of the existing air handling and conditioning system and make recommendations for changes in the design of the system if needed. The simulations were performed with NASA's OVERFLOW-2 CFD code which utilizes overset structured grids. A new set of boundary conditions were developed and added to the flow solver for modeling the roomls air-conditioning and proper cooling of the equipment. Boundary condition parameters for the flow solver are based on cooler CFM (flow rate) ratings and some reasonable assumptions of flow and heat transfer data for the floor and central processing units (CPU) . The geometry modeling from blue prints and grid generation were handled by the NASA Ames software package Chimera Grid Tools (CGT). This geometric model was developed as a CGT-scripted template, which can be easily modified to accommodate any changes in shape and size of the room, locations and dimensions of the CPU racks, disk racks, coolers, power distribution units, and mass-storage system. The compute nodes are grouped in pairs of racks with an aisle in the middle. High-speed connection cables connect the racks with overhead cable trays. The cool air from the cooling units is pumped into the computer room from a sub-floor through perforated floor tiles. The CPU cooling fans draw cool air from the floor tiles, which run along the outside length of each rack, and eject warm air into the center isle between the racks. This warm air is eventually drawn into the cooling units located near the walls of the room. One
Deterministic sensitivity and uncertainty analysis for large-scale computer models
International Nuclear Information System (INIS)
Worley, B.A.; Pin, F.G.; Oblow, E.M.; Maerker, R.E.; Horwedel, J.E.; Wright, R.Q.
1988-01-01
The fields of sensitivity and uncertainty analysis have traditionally been dominated by statistical techniques when large-scale modeling codes are being analyzed. These methods are able to estimate sensitivities, generate response surfaces, and estimate response probability distributions given the input parameter probability distributions. Because the statistical methods are computationally costly, they are usually applied only to problems with relatively small parameter sets. Deterministic methods, on the other hand, are very efficient and can handle large data sets, but generally require simpler models because of the considerable programming effort required for their implementation. The first part of this paper reports on the development and availability of two systems, GRESS and ADGEN, that make use of computer calculus compilers to automate the implementation of deterministic sensitivity analysis capability into existing computer models. This automation removes the traditional limitation of deterministic sensitivity methods. This second part of the paper describes a deterministic uncertainty analysis method (DUA) that uses derivative information as a basis to propagate parameter probability distributions to obtain result probability distributions. This paper is applicable to low-level radioactive waste disposal system performance assessment
Findings and Challenges in Fine-Resolution Large-Scale Hydrological Modeling
Her, Y. G.
2017-12-01
Fine-resolution large-scale (FL) modeling can provide the overall picture of the hydrological cycle and transport while taking into account unique local conditions in the simulation. It can also help develop water resources management plans consistent across spatial scales by describing the spatial consequences of decisions and hydrological events extensively. FL modeling is expected to be common in the near future as global-scale remotely sensed data are emerging, and computing resources have been advanced rapidly. There are several spatially distributed models available for hydrological analyses. Some of them rely on numerical methods such as finite difference/element methods (FDM/FEM), which require excessive computing resources (implicit scheme) to manipulate large matrices or small simulation time intervals (explicit scheme) to maintain the stability of the solution, to describe two-dimensional overland processes. Others make unrealistic assumptions such as constant overland flow velocity to reduce the computational loads of the simulation. Thus, simulation efficiency often comes at the expense of precision and reliability in FL modeling. Here, we introduce a new FL continuous hydrological model and its application to four watersheds in different landscapes and sizes from 3.5 km2 to 2,800 km2 at the spatial resolution of 30 m on an hourly basis. The model provided acceptable accuracy statistics in reproducing hydrological observations made in the watersheds. The modeling outputs including the maps of simulated travel time, runoff depth, soil water content, and groundwater recharge, were animated, visualizing the dynamics of hydrological processes occurring in the watersheds during and between storm events. Findings and challenges were discussed in the context of modeling efficiency, accuracy, and reproducibility, which we found can be improved by employing advanced computing techniques and hydrological understandings, by using remotely sensed hydrological
Large-scale parallel genome assembler over cloud computing environment.
Das, Arghya Kusum; Koppa, Praveen Kumar; Goswami, Sayan; Platania, Richard; Park, Seung-Jong
2017-06-01
The size of high throughput DNA sequencing data has already reached the terabyte scale. To manage this huge volume of data, many downstream sequencing applications started using locality-based computing over different cloud infrastructures to take advantage of elastic (pay as you go) resources at a lower cost. However, the locality-based programming model (e.g. MapReduce) is relatively new. Consequently, developing scalable data-intensive bioinformatics applications using this model and understanding the hardware environment that these applications require for good performance, both require further research. In this paper, we present a de Bruijn graph oriented Parallel Giraph-based Genome Assembler (GiGA), as well as the hardware platform required for its optimal performance. GiGA uses the power of Hadoop (MapReduce) and Giraph (large-scale graph analysis) to achieve high scalability over hundreds of compute nodes by collocating the computation and data. GiGA achieves significantly higher scalability with competitive assembly quality compared to contemporary parallel assemblers (e.g. ABySS and Contrail) over traditional HPC cluster. Moreover, we show that the performance of GiGA is significantly improved by using an SSD-based private cloud infrastructure over traditional HPC cluster. We observe that the performance of GiGA on 256 cores of this SSD-based cloud infrastructure closely matches that of 512 cores of traditional HPC cluster.
Salvalaglio, Matteo; Tiwary, Pratyush; Maggioni, Giovanni Maria; Mazzotti, Marco; Parrinello, Michele
2016-12-01
Condensation of a liquid droplet from a supersaturated vapour phase is initiated by a prototypical nucleation event. As such it is challenging to compute its rate from atomistic molecular dynamics simulations. In fact at realistic supersaturation conditions condensation occurs on time scales that far exceed what can be reached with conventional molecular dynamics methods. Another known problem in this context is the distortion of the free energy profile associated to nucleation due to the small, finite size of typical simulation boxes. In this work the problem of time scale is addressed with a recently developed enhanced sampling method while contextually correcting for finite size effects. We demonstrate our approach by studying the condensation of argon, and showing that characteristic nucleation times of the order of magnitude of hours can be reliably calculated. Nucleation rates spanning a range of 10 orders of magnitude are computed at moderate supersaturation levels, thus bridging the gap between what standard molecular dynamics simulations can do and real physical systems.
Directory of Open Access Journals (Sweden)
Y. Zhao
2007-06-01
Full Text Available A set of coupled ocean-atmosphere simulations using state of the art climate models is now available for the Last Glacial Maximum and the Mid-Holocene through the second phase of the Paleoclimate Modeling Intercomparison Project (PMIP2. This study presents the large-scale features of the simulated climates and compares the new model results to those of the atmospheric models from the first phase of the PMIP, for which sea surface temperature was prescribed or computed using simple slab ocean formulations. We consider the large-scale features of the climate change, pointing out some of the major differences between the different sets of experiments. We show in particular that systematic differences between PMIP1 and PMIP2 simulations are due to the interactive ocean, such as the amplification of the African monsoon at the Mid-Holocene or the change in precipitation in mid-latitudes at the LGM. Also the PMIP2 simulations are in general in better agreement with data than PMIP1 simulations.
Localization Algorithm Based on a Spring Model (LASM for Large Scale Wireless Sensor Networks
Directory of Open Access Journals (Sweden)
Shuai Li
2008-03-01
Full Text Available A navigation method for a lunar rover based on large scale wireless sensornetworks is proposed. To obtain high navigation accuracy and large exploration area, highnode localization accuracy and large network scale are required. However, thecomputational and communication complexity and time consumption are greatly increasedwith the increase of the network scales. A localization algorithm based on a spring model(LASM method is proposed to reduce the computational complexity, while maintainingthe localization accuracy in large scale sensor networks. The algorithm simulates thedynamics of physical spring system to estimate the positions of nodes. The sensor nodesare set as particles with masses and connected with neighbor nodes by virtual springs. Thevirtual springs will force the particles move to the original positions, the node positionscorrespondingly, from the randomly set positions. Therefore, a blind node position can bedetermined from the LASM algorithm by calculating the related forces with the neighbornodes. The computational and communication complexity are O(1 for each node, since thenumber of the neighbor nodes does not increase proportionally with the network scale size.Three patches are proposed to avoid local optimization, kick out bad nodes and deal withnode variation. Simulation results show that the computational and communicationcomplexity are almost constant despite of the increase of the network scale size. The time consumption has also been proven to remain almost constant since the calculation steps arealmost unrelated with the network scale size.
A review of parallel computing for large-scale remote sensing image mosaicking
Chen, Lajiao; Ma, Yan; Liu, Peng; Wei, Jingbo; Jie, Wei; He, Jijun
2015-01-01
Interest in image mosaicking has been spurred by a wide variety of research and management needs. However, for large-scale applications, remote sensing image mosaicking usually requires significant computational capabilities. Several studies have attempted to apply parallel computing to improve image mosaicking algorithms and to speed up calculation process. The state of the art of this field has not yet been summarized, which is, however, essential for a better understanding and for further ...
Topology of Large-Scale Structure by Galaxy Type: Hydrodynamic Simulations
Gott, J. Richard, III; Cen, Renyue; Ostriker, Jeremiah P.
1996-07-01
The topology of large-scale structure is studied as a function of galaxy type using the genus statistic. In hydrodynamical cosmological cold dark matter simulations, galaxies form on caustic surfaces (Zeldovich pancakes) and then slowly drain onto filaments and clusters. The earliest forming galaxies in the simulations (defined as "ellipticals") are thus seen at the present epoch preferentially in clusters (tending toward a meatball topology), while the latest forming galaxies (defined as "spirals") are seen currently in a spongelike topology. The topology is measured by the genus (number of "doughnut" holes minus number of isolated regions) of the smoothed density-contour surfaces. The measured genus curve for all galaxies as a function of density obeys approximately the theoretical curve expected for random- phase initial conditions, but the early-forming elliptical galaxies show a shift toward a meatball topology relative to the late-forming spirals. Simulations using standard biasing schemes fail to show such an effect. Large observational samples separated by galaxy type could be used to test for this effect.
Large-scale computer networks and the future of legal knowledge-based systems
Leenes, R.E.; Svensson, Jorgen S.; Hage, J.C.; Bench-Capon, T.J.M.; Cohen, M.J.; van den Herik, H.J.
1995-01-01
In this paper we investigate the relation between legal knowledge-based systems and large-scale computer networks such as the Internet. On the one hand, researchers of legal knowledge-based systems have claimed huge possibilities, but despite the efforts over the last twenty years, the number of
Anomalous scaling of structure functions and dynamic constraints on turbulence simulations
International Nuclear Information System (INIS)
Yakhot, Victor; Sreenivasan, Katepalli R.
2006-12-01
The connection between anomalous scaling of structure functions (intermittency) and numerical methods for turbulence simulations is discussed. It is argued that the computational work for direct numerical simulations (DNS) of fully developed turbulence increases as Re 4 , and not as Re 3 expected from Kolmogorov's theory, where Re is a large-scale Reynolds number. Various relations for the moments of acceleration and velocity derivatives are derived. An infinite set of exact constraints on dynamically consistent subgrid models for Large Eddy Simulations (LES) is derived from the Navier-Stokes equations, and some problems of principle associated with existing LES models are highlighted. (author)
Development of large scale fusion plasma simulation and storage grid on JAERI Origin3800 system
International Nuclear Information System (INIS)
Idomura, Yasuhiro; Wang, Xin
2003-01-01
Under the Numerical EXperiment of Tokamak (NEXT) research project, various fluid, particle, and hybrid codes have been developed. These codes require a computational environment which consists of high performance processors, high speed storage system, and high speed parallelized visualization system. In this paper, the performance of the JAERI Origin3800 system is examined from a point of view of these requests. In the performance tests, it is shown that the representative particle and fluid codes operate with 15 - 40% of processing efficiency up to 512 processors. A storage area network (SAN) provides high speed parallel data transfer. A parallel visualization system enables order to magnitude faster visualization of a large scale simulation data compared with the previous graphic workstations. Accordingly, an extremely advanced simulation environment is realized on the JAERI Origin3800 system. Recently, development of a storage grid is underway in order to improve a computational environment of remote users. The storage grid is constructed by a combination of SAN and a wavelength division multiplexer (WDM). The preliminary tests show that compared with the existing data transfer methods, it enables dramatically high speed data transfer ∼100 Gbps over a wide area network. (author)
Research on integrated simulation of fluid-structure system by computation science techniques
International Nuclear Information System (INIS)
Yamaguchi, Akira
1996-01-01
In Power Reactor and Nuclear Fuel Development Corporation, the research on the integrated simulation of fluid-structure system by computation science techniques has been carried out, and by its achievement, the verification of plant systems which has depended on large scale experiments is substituted by computation science techniques, in this way, it has been aimed at to reduce development costs and to attain the optimization of FBR systems. For the purpose, it is necessary to establish the technology for integrally and accurately analyzing complicated phenomena (simulation technology), the technology for applying it to large scale problems (speed increasing technology), and the technology for assuring the reliability of the results of analysis when simulation technology is utilized for the permission and approval of FBRs (verifying technology). The simulation of fluid-structure interaction, the heat flow simulation in the space with complicated form and the related technologies are explained. As the utilization of computation science techniques, the elucidation of phenomena by numerical experiment and the numerical simulation as the substitute for tests are discussed. (K.I.)
Optimization of large-scale heterogeneous system-of-systems models.
Energy Technology Data Exchange (ETDEWEB)
Parekh, Ojas; Watson, Jean-Paul; Phillips, Cynthia Ann; Siirola, John; Swiler, Laura Painton; Hough, Patricia Diane (Sandia National Laboratories, Livermore, CA); Lee, Herbert K. H. (University of California, Santa Cruz, Santa Cruz, CA); Hart, William Eugene; Gray, Genetha Anne (Sandia National Laboratories, Livermore, CA); Woodruff, David L. (University of California, Davis, Davis, CA)
2012-01-01
Decision makers increasingly rely on large-scale computational models to simulate and analyze complex man-made systems. For example, computational models of national infrastructures are being used to inform government policy, assess economic and national security risks, evaluate infrastructure interdependencies, and plan for the growth and evolution of infrastructure capabilities. A major challenge for decision makers is the analysis of national-scale models that are composed of interacting systems: effective integration of system models is difficult, there are many parameters to analyze in these systems, and fundamental modeling uncertainties complicate analysis. This project is developing optimization methods to effectively represent and analyze large-scale heterogeneous system of systems (HSoS) models, which have emerged as a promising approach for describing such complex man-made systems. These optimization methods enable decision makers to predict future system behavior, manage system risk, assess tradeoffs between system criteria, and identify critical modeling uncertainties.
Large scale solar district heating. Evaluation, modelling and designing - Appendices
Energy Technology Data Exchange (ETDEWEB)
Heller, A.
2000-07-01
The appendices present the following: A) Cad-drawing of the Marstal CSHP design. B) Key values - large-scale solar heating in Denmark. C) Monitoring - a system description. D) WMO-classification of pyranometers (solarimeters). E) The computer simulation model in TRNSYS. F) Selected papers from the author. (EHS)
Halo Models of Large Scale Structure and Reliability of Cosmological N-Body Simulations
Directory of Open Access Journals (Sweden)
José Gaite
2013-05-01
Full Text Available Halo models of the large scale structure of the Universe are critically examined, focusing on the definition of halos as smooth distributions of cold dark matter. This definition is essentially based on the results of cosmological N-body simulations. By a careful analysis of the standard assumptions of halo models and N-body simulations and by taking into account previous studies of self-similarity of the cosmic web structure, we conclude that N-body cosmological simulations are not fully reliable in the range of scales where halos appear. Therefore, to have a consistent definition of halos is necessary either to define them as entities of arbitrary size with a grainy rather than smooth structure or to define their size in terms of small-scale baryonic physics.
Efficient graph-based dynamic load-balancing for parallel large-scale agent-based traffic simulation
Xu, Y.; Cai, W.; Aydt, H.; Lees, M.; Tolk, A.; Diallo, S.Y.; Ryzhov, I.O.; Yilmaz, L.; Buckley, S.; Miller, J.A.
2014-01-01
One of the issues of parallelizing large-scale agent-based traffic simulations is partitioning and load-balancing. Traffic simulations are dynamic applications where the distribution of workload in the spatial domain constantly changes. Dynamic load-balancing at run-time has shown better efficiency
Large Scale Earth's Bow Shock with Northern IMF as Simulated by PIC Code in Parallel with MHD Model
Baraka, Suleiman
2016-06-01
In this paper, we propose a 3D kinetic model (particle-in-cell, PIC) for the description of the large scale Earth's bow shock. The proposed version is stable and does not require huge or extensive computer resources. Because PIC simulations work with scaled plasma and field parameters, we also propose to validate our code by comparing its results with the available MHD simulations under same scaled solar wind (SW) and (IMF) conditions. We report new results from the two models. In both codes the Earth's bow shock position is found to be ≈14.8 R E along the Sun-Earth line, and ≈29 R E on the dusk side. Those findings are consistent with past in situ observations. Both simulations reproduce the theoretical jump conditions at the shock. However, the PIC code density and temperature distributions are inflated and slightly shifted sunward when compared to the MHD results. Kinetic electron motions and reflected ions upstream may cause this sunward shift. Species distributions in the foreshock region are depicted within the transition of the shock (measured ≈2 c/ ω pi for Θ Bn = 90° and M MS = 4.7) and in the downstream. The size of the foot jump in the magnetic field at the shock is measured to be (1.7 c/ ω pi ). In the foreshocked region, the thermal velocity is found equal to 213 km s-1 at 15 R E and is equal to 63 km s -1 at 12 R E (magnetosheath region). Despite the large cell size of the current version of the PIC code, it is powerful to retain macrostructure of planets magnetospheres in very short time, thus it can be used for pedagogical test purposes. It is also likely complementary with MHD to deepen our understanding of the large scale magnetosphere.
Visual analysis of inter-process communication for large-scale parallel computing.
Muelder, Chris; Gygi, Francois; Ma, Kwan-Liu
2009-01-01
In serial computation, program profiling is often helpful for optimization of key sections of code. When moving to parallel computation, not only does the code execution need to be considered but also communication between the different processes which can induce delays that are detrimental to performance. As the number of processes increases, so does the impact of the communication delays on performance. For large-scale parallel applications, it is critical to understand how the communication impacts performance in order to make the code more efficient. There are several tools available for visualizing program execution and communications on parallel systems. These tools generally provide either views which statistically summarize the entire program execution or process-centric views. However, process-centric visualizations do not scale well as the number of processes gets very large. In particular, the most common representation of parallel processes is a Gantt char t with a row for each process. As the number of processes increases, these charts can become difficult to work with and can even exceed screen resolution. We propose a new visualization approach that affords more scalability and then demonstrate it on systems running with up to 16,384 processes.
International Nuclear Information System (INIS)
Tye, C.; Sezgen, A.O.
1980-01-01
The design of control systems and operational procedures for large scale nuclear power plant poses a difficult optimization problem requiring a lot of computational effort. Plant dynamic simulation using digital minicomputers offers the prospect of relatively low cost computing and when combined with graphical input/output provides a powerful tool for studying such problems. The paper discusses the results obtained from a simulation study carried out at the Computer Graphics Unit of the University of Manchester using a typical station control model for an Advanced Gas Cooled reactor. Particular reference is placed on the use of computer graphics for information display, parameter and control system optimization and techniques for using graphical input for defining and/or modifying the control system topology. Experience gained from this study has shown that a relatively modest minicomputer system can be used for simulating large scale dynamic systems and that highly interactive computer graphics can be used to advantage to relieve the designer of many of the tedious aspects of simulation leaving him free to concentrate on the more creative aspects of his work. (author)
Tang, G.; Bartlein, P. J.
2012-01-01
Water balance models of simple structure are easier to grasp and more clearly connect cause and effect than models of complex structure. Such models are essential for studying large spatial scale land surface water balance in the context of climate and land cover change, both natural and anthropogenic. This study aims to (i) develop a large spatial scale water balance model by modifying a dynamic global vegetation model (DGVM), and (ii) test the model's performance in simulating actual evapotranspiration (ET), soil moisture and surface runoff for the coterminous United States (US). Toward these ends, we first introduced development of the "LPJ-Hydrology" (LH) model by incorporating satellite-based land covers into the Lund-Potsdam-Jena (LPJ) DGVM instead of dynamically simulating them. We then ran LH using historical (1982-2006) climate data and satellite-based land covers at 2.5 arc-min grid cells. The simulated ET, soil moisture and surface runoff were compared to existing sets of observed or simulated data for the US. The results indicated that LH captures well the variation of monthly actual ET (R2 = 0.61, p 0.46, p 0.52) with observed values over the years 1982-2006, respectively. The modeled spatial patterns of annual ET and surface runoff are in accordance with previously published data. Compared to its predecessor, LH simulates better monthly stream flow in winter and early spring by incorporating effects of solar radiation on snowmelt. Overall, this study proves the feasibility of incorporating satellite-based land-covers into a DGVM for simulating large spatial scale land surface water balance. LH developed in this study should be a useful tool for studying effects of climate and land cover change on land surface hydrology at large spatial scales.
Large scale Brownian dynamics of confined suspensions of rigid particles
Sprinkle, Brennan; Balboa Usabiaga, Florencio; Patankar, Neelesh A.; Donev, Aleksandar
2017-12-01
We introduce methods for large-scale Brownian Dynamics (BD) simulation of many rigid particles of arbitrary shape suspended in a fluctuating fluid. Our method adds Brownian motion to the rigid multiblob method [F. Balboa Usabiaga et al., Commun. Appl. Math. Comput. Sci. 11(2), 217-296 (2016)] at a cost comparable to the cost of deterministic simulations. We demonstrate that we can efficiently generate deterministic and random displacements for many particles using preconditioned Krylov iterative methods, if kernel methods to efficiently compute the action of the Rotne-Prager-Yamakawa (RPY) mobility matrix and its "square" root are available for the given boundary conditions. These kernel operations can be computed with near linear scaling for periodic domains using the positively split Ewald method. Here we study particles partially confined by gravity above a no-slip bottom wall using a graphical processing unit implementation of the mobility matrix-vector product, combined with a preconditioned Lanczos iteration for generating Brownian displacements. We address a major challenge in large-scale BD simulations, capturing the stochastic drift term that arises because of the configuration-dependent mobility. Unlike the widely used Fixman midpoint scheme, our methods utilize random finite differences and do not require the solution of resistance problems or the computation of the action of the inverse square root of the RPY mobility matrix. We construct two temporal schemes which are viable for large-scale simulations, an Euler-Maruyama traction scheme and a trapezoidal slip scheme, which minimize the number of mobility problems to be solved per time step while capturing the required stochastic drift terms. We validate and compare these schemes numerically by modeling suspensions of boomerang-shaped particles sedimented near a bottom wall. Using the trapezoidal scheme, we investigate the steady-state active motion in dense suspensions of confined microrollers, whose
Low-Complexity Transmit Antenna Selection and Beamforming for Large-Scale MIMO Communications
Directory of Open Access Journals (Sweden)
Kun Qian
2014-01-01
Full Text Available Transmit antenna selection plays an important role in large-scale multiple-input multiple-output (MIMO communications, but optimal large-scale MIMO antenna selection is a technical challenge. Exhaustive search is often employed in antenna selection, but it cannot be efficiently implemented in large-scale MIMO communication systems due to its prohibitive high computation complexity. This paper proposes a low-complexity interactive multiple-parameter optimization method for joint transmit antenna selection and beamforming in large-scale MIMO communication systems. The objective is to jointly maximize the channel outrage capacity and signal-to-noise (SNR performance and minimize the mean square error in transmit antenna selection and minimum variance distortionless response (MVDR beamforming without exhaustive search. The effectiveness of all the proposed methods is verified by extensive simulation results. It is shown that the required antenna selection processing time of the proposed method does not increase along with the increase of selected antennas, but the computation complexity of conventional exhaustive search method will significantly increase when large-scale antennas are employed in the system. This is particularly useful in antenna selection for large-scale MIMO communication systems.
Quantum chemistry simulation on quantum computers: theories and experiments.
Lu, Dawei; Xu, Boruo; Xu, Nanyang; Li, Zhaokai; Chen, Hongwei; Peng, Xinhua; Xu, Ruixue; Du, Jiangfeng
2012-07-14
It has been claimed that quantum computers can mimic quantum systems efficiently in the polynomial scale. Traditionally, those simulations are carried out numerically on classical computers, which are inevitably confronted with the exponential growth of required resources, with the increasing size of quantum systems. Quantum computers avoid this problem, and thus provide a possible solution for large quantum systems. In this paper, we first discuss the ideas of quantum simulation, the background of quantum simulators, their categories, and the development in both theories and experiments. We then present a brief introduction to quantum chemistry evaluated via classical computers followed by typical procedures of quantum simulation towards quantum chemistry. Reviewed are not only theoretical proposals but also proof-of-principle experimental implementations, via a small quantum computer, which include the evaluation of the static molecular eigenenergy and the simulation of chemical reaction dynamics. Although the experimental development is still behind the theory, we give prospects and suggestions for future experiments. We anticipate that in the near future quantum simulation will become a powerful tool for quantum chemistry over classical computations.
Parallelization of a beam dynamics code and first large scale radio frequency quadrupole simulations
Directory of Open Access Journals (Sweden)
J. Xu
2007-01-01
Full Text Available The design and operation support of hadron (proton and heavy-ion linear accelerators require substantial use of beam dynamics simulation tools. The beam dynamics code TRACK has been originally developed at Argonne National Laboratory (ANL to fulfill the special requirements of the rare isotope accelerator (RIA accelerator systems. From the beginning, the code has been developed to make it useful in the three stages of a linear accelerator project, namely, the design, commissioning, and operation of the machine. To realize this concept, the code has unique features such as end-to-end simulations from the ion source to the final beam destination and automatic procedures for tuning of a multiple charge state heavy-ion beam. The TRACK code has become a general beam dynamics code for hadron linacs and has found wide applications worldwide. Until recently, the code has remained serial except for a simple parallelization used for the simulation of multiple seeds to study the machine errors. To speed up computation, the TRACK Poisson solver has been parallelized. This paper discusses different parallel models for solving the Poisson equation with the primary goal to extend the scalability of the code onto 1024 and more processors of the new generation of supercomputers known as BlueGene (BG/L. Domain decomposition techniques have been adapted and incorporated into the parallel version of the TRACK code. To demonstrate the new capabilities of the parallelized TRACK code, the dynamics of a 45 mA proton beam represented by 10^{8} particles has been simulated through the 325 MHz radio frequency quadrupole and initial accelerator section of the proposed FNAL proton driver. The results show the benefits and advantages of large-scale parallel computing in beam dynamics simulations.
Large scale particle image velocimetry with helium filled soap bubbles
Energy Technology Data Exchange (ETDEWEB)
Bosbach, Johannes; Kuehn, Matthias; Wagner, Claus [German Aerospace Center (DLR), Institute of Aerodynamics and Flow Technology, Goettingen (Germany)
2009-03-15
The application of particle image velocimetry (PIV) to measurement of flows on large scales is a challenging necessity especially for the investigation of convective air flows. Combining helium filled soap bubbles as tracer particles with high power quality switched solid state lasers as light sources allows conducting PIV on scales of the order of several square meters. The technique was applied to mixed convection in a full scale double aisle aircraft cabin mock-up for validation of computational fluid dynamics simulations. (orig.)
Large scale particle image velocimetry with helium filled soap bubbles
Bosbach, Johannes; Kühn, Matthias; Wagner, Claus
2009-03-01
The application of Particle Image Velocimetry (PIV) to measurement of flows on large scales is a challenging necessity especially for the investigation of convective air flows. Combining helium filled soap bubbles as tracer particles with high power quality switched solid state lasers as light sources allows conducting PIV on scales of the order of several square meters. The technique was applied to mixed convection in a full scale double aisle aircraft cabin mock-up for validation of Computational Fluid Dynamics simulations.
Ergul, Ozgur
2014-01-01
The Multilevel Fast Multipole Algorithm (MLFMA) for Solving Large-Scale Computational Electromagnetic Problems provides a detailed and instructional overview of implementing MLFMA. The book: Presents a comprehensive treatment of the MLFMA algorithm, including basic linear algebra concepts, recent developments on the parallel computation, and a number of application examplesCovers solutions of electromagnetic problems involving dielectric objects and perfectly-conducting objectsDiscusses applications including scattering from airborne targets, scattering from red
van Heerwaarden, Chiel C.; van Stratum, Bart J. H.; Heus, Thijs; Gibbs, Jeremy A.; Fedorovich, Evgeni; Mellado, Juan Pedro
2017-08-01
This paper describes MicroHH 1.0, a new and open-source (www.microhh.org) computational fluid dynamics code for the simulation of turbulent flows in the atmosphere. It is primarily made for direct numerical simulation but also supports large-eddy simulation (LES). The paper covers the description of the governing equations, their numerical implementation, and the parameterizations included in the code. Furthermore, the paper presents the validation of the dynamical core in the form of convergence and conservation tests, and comparison of simulations of channel flows and slope flows against well-established test cases. The full numerical model, including the associated parameterizations for LES, has been tested for a set of cases under stable and unstable conditions, under the Boussinesq and anelastic approximations, and with dry and moist convection under stationary and time-varying boundary conditions. The paper presents performance tests showing good scaling from 256 to 32 768 processes. The graphical processing unit (GPU)-enabled version of the code can reach a speedup of more than an order of magnitude for simulations that fit in the memory of a single GPU.
Multigrid preconditioned conjugate-gradient method for large-scale wave-front reconstruction.
Gilles, Luc; Vogel, Curtis R; Ellerbroek, Brent L
2002-09-01
We introduce a multigrid preconditioned conjugate-gradient (MGCG) iterative scheme for computing open-loop wave-front reconstructors for extreme adaptive optics systems. We present numerical simulations for a 17-m class telescope with n = 48756 sensor measurement grid points within the aperture, which indicate that our MGCG method has a rapid convergence rate for a wide range of subaperture average slope measurement signal-to-noise ratios. The total computational cost is of order n log n. Hence our scheme provides for fast wave-front simulation and control in large-scale adaptive optics systems.
The large-scale environment from cosmological simulations - I. The baryonic cosmic web
Cui, Weiguang; Knebe, Alexander; Yepes, Gustavo; Yang, Xiaohu; Borgani, Stefano; Kang, Xi; Power, Chris; Staveley-Smith, Lister
2018-01-01
Using a series of cosmological simulations that includes one dark-matter-only (DM-only) run, one gas cooling-star formation-supernova feedback (CSF) run and one that additionally includes feedback from active galactic nuclei (AGNs), we classify the large-scale structures with both a velocity-shear-tensor code (VWEB) and a tidal-tensor code (PWEB). We find that the baryonic processes have almost no impact on large-scale structures - at least not when classified using aforementioned techniques. More importantly, our results confirm that the gas component alone can be used to infer the filamentary structure of the universe practically un-biased, which could be applied to cosmology constraints. In addition, the gas filaments are classified with its velocity (VWEB) and density (PWEB) fields, which can theoretically connect to the radio observations, such as H I surveys. This will help us to bias-freely link the radio observations with dark matter distributions at large scale.
Investigation of wake interaction using full-scale lidar measurements and large eddy simulation
DEFF Research Database (Denmark)
Machefaux, Ewan; Larsen, Gunner Chr.; Troldborg, Niels
2016-01-01
dynamics flow solver, using large eddy simulation and fully turbulent inflow. The rotors are modelled using the actuator disc technique. A mutual validation of the computational fluid dynamics model with the measurements is conducted for a selected dataset, where wake interaction occurs. This validation...
International Nuclear Information System (INIS)
Jacques, D.; Perko, J.; Seetharam, S.; Mallants, D.
2012-01-01
This paper presents a methodology to assess the spatial-temporal evolution of chemical degradation fronts in real-size concrete structures typical of a near-surface radioactive waste disposal facility. The methodology consists of the abstraction of a so-called full (complicated) model accounting for the multicomponent - multi-scale nature of concrete to an abstracted (simplified) model which simulates chemical concrete degradation based on a single component in the aqueous and solid phase. The abstracted model is verified against chemical degradation fronts simulated with the full model under both diffusive and advective transport conditions. Implementation in the multi-physics simulation tool COMSOL allows simulation of the spatial-temporal evolution of chemical degradation fronts in large-scale concrete structures. (authors)
Large-Scale Optimization for Bayesian Inference in Complex Systems
Energy Technology Data Exchange (ETDEWEB)
Willcox, Karen [MIT; Marzouk, Youssef [MIT
2013-11-12
The SAGUARO (Scalable Algorithms for Groundwater Uncertainty Analysis and Robust Optimization) Project focused on the development of scalable numerical algorithms for large-scale Bayesian inversion in complex systems that capitalize on advances in large-scale simulation-based optimization and inversion methods. The project was a collaborative effort among MIT, the University of Texas at Austin, Georgia Institute of Technology, and Sandia National Laboratories. The research was directed in three complementary areas: efficient approximations of the Hessian operator, reductions in complexity of forward simulations via stochastic spectral approximations and model reduction, and employing large-scale optimization concepts to accelerate sampling. The MIT--Sandia component of the SAGUARO Project addressed the intractability of conventional sampling methods for large-scale statistical inverse problems by devising reduced-order models that are faithful to the full-order model over a wide range of parameter values; sampling then employs the reduced model rather than the full model, resulting in very large computational savings. Results indicate little effect on the computed posterior distribution. On the other hand, in the Texas--Georgia Tech component of the project, we retain the full-order model, but exploit inverse problem structure (adjoint-based gradients and partial Hessian information of the parameter-to-observation map) to implicitly extract lower dimensional information on the posterior distribution; this greatly speeds up sampling methods, so that fewer sampling points are needed. We can think of these two approaches as ``reduce then sample'' and ``sample then reduce.'' In fact, these two approaches are complementary, and can be used in conjunction with each other. Moreover, they both exploit deterministic inverse problem structure, in the form of adjoint-based gradient and Hessian information of the underlying parameter-to-observation map, to
Large scale network-centric distributed systems
Sarbazi-Azad, Hamid
2014-01-01
A highly accessible reference offering a broad range of topics and insights on large scale network-centric distributed systems Evolving from the fields of high-performance computing and networking, large scale network-centric distributed systems continues to grow as one of the most important topics in computing and communication and many interdisciplinary areas. Dealing with both wired and wireless networks, this book focuses on the design and performance issues of such systems. Large Scale Network-Centric Distributed Systems provides in-depth coverage ranging from ground-level hardware issu
Wolf-Grosse, Tobias; Esau, Igor; Reuder, Joachim
2017-06-01
Street-level urban air pollution is a challenging concern for modern urban societies. Pollution dispersion models assume that the concentrations decrease monotonically with raising wind speed. This convenient assumption breaks down when applied to flows with local recirculations such as those found in topographically complex coastal areas. This study looks at a practically important and sufficiently common case of air pollution in a coastal valley city. Here, the observed concentrations are determined by the interaction between large-scale topographically forced and local-scale breeze-like recirculations. Analysis of a long observational dataset in Bergen, Norway, revealed that the most extreme cases of recurring wintertime air pollution episodes were accompanied by increased large-scale wind speeds above the valley. Contrary to the theoretical assumption and intuitive expectations, the maximum NO2 concentrations were not found for the lowest 10 m ERA-Interim wind speeds but in situations with wind speeds of 3 m s-1. To explain this phenomenon, we investigated empirical relationships between the large-scale forcing and the local wind and air quality parameters. We conducted 16 large-eddy simulation (LES) experiments with the Parallelised Large-Eddy Simulation Model (PALM) for atmospheric and oceanic flows. The LES accounted for the realistic relief and coastal configuration as well as for the large-scale forcing and local surface condition heterogeneity in Bergen. They revealed that emerging local breeze-like circulations strongly enhance the urban ventilation and dispersion of the air pollutants in situations with weak large-scale winds. Slightly stronger large-scale winds, however, can counteract these local recirculations, leading to enhanced surface air stagnation. Furthermore, this study looks at the concrete impact of the relative configuration of warmer water bodies in the city and the major transport corridor. We found that a relatively small local water
Directory of Open Access Journals (Sweden)
T. Wolf-Grosse
2017-06-01
Full Text Available Street-level urban air pollution is a challenging concern for modern urban societies. Pollution dispersion models assume that the concentrations decrease monotonically with raising wind speed. This convenient assumption breaks down when applied to flows with local recirculations such as those found in topographically complex coastal areas. This study looks at a practically important and sufficiently common case of air pollution in a coastal valley city. Here, the observed concentrations are determined by the interaction between large-scale topographically forced and local-scale breeze-like recirculations. Analysis of a long observational dataset in Bergen, Norway, revealed that the most extreme cases of recurring wintertime air pollution episodes were accompanied by increased large-scale wind speeds above the valley. Contrary to the theoretical assumption and intuitive expectations, the maximum NO2 concentrations were not found for the lowest 10 m ERA-Interim wind speeds but in situations with wind speeds of 3 m s−1. To explain this phenomenon, we investigated empirical relationships between the large-scale forcing and the local wind and air quality parameters. We conducted 16 large-eddy simulation (LES experiments with the Parallelised Large-Eddy Simulation Model (PALM for atmospheric and oceanic flows. The LES accounted for the realistic relief and coastal configuration as well as for the large-scale forcing and local surface condition heterogeneity in Bergen. They revealed that emerging local breeze-like circulations strongly enhance the urban ventilation and dispersion of the air pollutants in situations with weak large-scale winds. Slightly stronger large-scale winds, however, can counteract these local recirculations, leading to enhanced surface air stagnation. Furthermore, this study looks at the concrete impact of the relative configuration of warmer water bodies in the city and the major transport corridor. We found that a
A full scale approximation of covariance functions for large spatial data sets
Sang, Huiyan
2011-10-10
Gaussian process models have been widely used in spatial statistics but face tremendous computational challenges for very large data sets. The model fitting and spatial prediction of such models typically require O(n 3) operations for a data set of size n. Various approximations of the covariance functions have been introduced to reduce the computational cost. However, most existing approximations cannot simultaneously capture both the large- and the small-scale spatial dependence. A new approximation scheme is developed to provide a high quality approximation to the covariance function at both the large and the small spatial scales. The new approximation is the summation of two parts: a reduced rank covariance and a compactly supported covariance obtained by tapering the covariance of the residual of the reduced rank approximation. Whereas the former part mainly captures the large-scale spatial variation, the latter part captures the small-scale, local variation that is unexplained by the former part. By combining the reduced rank representation and sparse matrix techniques, our approach allows for efficient computation for maximum likelihood estimation, spatial prediction and Bayesian inference. We illustrate the new approach with simulated and real data sets. © 2011 Royal Statistical Society.
A full scale approximation of covariance functions for large spatial data sets
Sang, Huiyan; Huang, Jianhua Z.
2011-01-01
Gaussian process models have been widely used in spatial statistics but face tremendous computational challenges for very large data sets. The model fitting and spatial prediction of such models typically require O(n 3) operations for a data set of size n. Various approximations of the covariance functions have been introduced to reduce the computational cost. However, most existing approximations cannot simultaneously capture both the large- and the small-scale spatial dependence. A new approximation scheme is developed to provide a high quality approximation to the covariance function at both the large and the small spatial scales. The new approximation is the summation of two parts: a reduced rank covariance and a compactly supported covariance obtained by tapering the covariance of the residual of the reduced rank approximation. Whereas the former part mainly captures the large-scale spatial variation, the latter part captures the small-scale, local variation that is unexplained by the former part. By combining the reduced rank representation and sparse matrix techniques, our approach allows for efficient computation for maximum likelihood estimation, spatial prediction and Bayesian inference. We illustrate the new approach with simulated and real data sets. © 2011 Royal Statistical Society.
Computation of unsteady flow and aerodynamic noise of NACA0018 airfoil using large-eddy simulation
Energy Technology Data Exchange (ETDEWEB)
Kim, H.-J. [Department of Mechanical Engineering, Inha University, 253 Yonghyun-dong, Nam-gu, Incheon 402-751 (Korea, Republic of); Lee, S. [Department of Mechanical Engineering, Inha University, 253 Yonghyun-dong, Nam-gu, Incheon 402-751 (Korea, Republic of)]. E-mail: sbaelee@inha.ac.kr; Fujisawa, N. [Department of Mechanical and Production Engineering, Niigata University, 8050 Ikarashi-2, Niigata 950-2181 (Japan)
2006-04-15
The flow field around a symmetrical NACA airfoil in the uniform flow under generation of noise was numerically studied. The numerical simulation was carried out by a large-eddy simulation that employs a deductive dynamic model as the subgrid-scale model. The results at small angle of attack {alpha} = 3-6{sup o} indicate that the discrete frequency noise is generated when the separated laminar flow reattaches near the trailing edge of pressure side and the strong instability thereafter affects positive vortices shed near the trailing edge. The quasi-periodic behavior of negative vortex formation on the suction side is affected by the strength and the periodicity of positive vortices near the trailing edge. The computation using aero-acoustic analogy indicates the primary discrete peak at the Strouhal frequency (=2f . {delta}/U ) of 0.15 by the vortex shedding from the trailing edge, which is in a close agreement with the experiment.
Large Eddy Simulation Study for Fluid Disintegration and Mixing
Bellan, Josette; Taskinoglu, Ezgi
2011-01-01
A new modeling approach is based on the concept of large eddy simulation (LES) within which the large scales are computed and the small scales are modeled. The new approach is expected to retain the fidelity of the physics while also being computationally efficient. Typically, only models for the small-scale fluxes of momentum, species, and enthalpy are used to reintroduce in the simulation the physics lost because the computation only resolves the large scales. These models are called subgrid (SGS) models because they operate at a scale smaller than the LES grid. In a previous study of thermodynamically supercritical fluid disintegration and mixing, additional small-scale terms, one in the momentum and one in the energy conservation equations, were identified as requiring modeling. These additional terms were due to the tight coupling between dynamics and real-gas thermodynamics. It was inferred that if these terms would not be modeled, the high density-gradient magnitude regions, experimentally identified as a characteristic feature of these flows, would not be accurately predicted without the additional term in the momentum equation; these high density-gradient magnitude regions were experimentally shown to redistribute turbulence in the flow. And it was also inferred that without the additional term in the energy equation, the heat flux magnitude could not be accurately predicted; the heat flux to the wall of combustion devices is a crucial quantity that determined necessary wall material properties. The present work involves situations where only the term in the momentum equation is important. Without this additional term in the momentum equation, neither the SGS-flux constant-coefficient Smagorinsky model nor the SGS-flux constant-coefficient Gradient model could reproduce in LES the pressure field or the high density-gradient magnitude regions; the SGS-flux constant- coefficient Scale-Similarity model was the most successful in this endeavor although not
Tučník, Petr; Bureš, Vladimír
2016-01-01
Multi-criteria decision-making (MCDM) can be formally implemented by various methods. This study compares suitability of four selected MCDM methods, namely WPM, TOPSIS, VIKOR, and PROMETHEE, for future applications in agent-based computational economic (ACE) models of larger scale (i.e., over 10 000 agents in one geographical region). These four MCDM methods were selected according to their appropriateness for computational processing in ACE applications. Tests of the selected methods were conducted on four hardware configurations. For each method, 100 tests were performed, which represented one testing iteration. With four testing iterations conducted on each hardware setting and separated testing of all configurations with the-server parameter de/activated, altogether, 12800 data points were collected and consequently analyzed. An illustrational decision-making scenario was used which allows the mutual comparison of all of the selected decision making methods. Our test results suggest that although all methods are convenient and can be used in practice, the VIKOR method accomplished the tests with the best results and thus can be recommended as the most suitable for simulations of large-scale agent-based models.
Directory of Open Access Journals (Sweden)
Julián A García-Grajales
Full Text Available With the growing body of research on traumatic brain injury and spinal cord injury, computational neuroscience has recently focused its modeling efforts on neuronal functional deficits following mechanical loading. However, in most of these efforts, cell damage is generally only characterized by purely mechanistic criteria, functions of quantities such as stress, strain or their corresponding rates. The modeling of functional deficits in neurites as a consequence of macroscopic mechanical insults has been rarely explored. In particular, a quantitative mechanically based model of electrophysiological impairment in neuronal cells, Neurite, has only very recently been proposed. In this paper, we present the implementation details of this model: a finite difference parallel program for simulating electrical signal propagation along neurites under mechanical loading. Following the application of a macroscopic strain at a given strain rate produced by a mechanical insult, Neurite is able to simulate the resulting neuronal electrical signal propagation, and thus the corresponding functional deficits. The simulation of the coupled mechanical and electrophysiological behaviors requires computational expensive calculations that increase in complexity as the network of the simulated cells grows. The solvers implemented in Neurite--explicit and implicit--were therefore parallelized using graphics processing units in order to reduce the burden of the simulation costs of large scale scenarios. Cable Theory and Hodgkin-Huxley models were implemented to account for the electrophysiological passive and active regions of a neurite, respectively, whereas a coupled mechanical model accounting for the neurite mechanical behavior within its surrounding medium was adopted as a link between electrophysiology and mechanics. This paper provides the details of the parallel implementation of Neurite, along with three different application examples: a long myelinated axon
Dong, Xianlei; Bollen, Johan
2015-01-01
Economies are instances of complex socio-technical systems that are shaped by the interactions of large numbers of individuals. The individual behavior and decision-making of consumer agents is determined by complex psychological dynamics that include their own assessment of present and future economic conditions as well as those of others, potentially leading to feedback loops that affect the macroscopic state of the economic system. We propose that the large-scale interactions of a nation's citizens with its online resources can reveal the complex dynamics of their collective psychology, including their assessment of future system states. Here we introduce a behavioral index of Chinese Consumer Confidence (C3I) that computationally relates large-scale online search behavior recorded by Google Trends data to the macroscopic variable of consumer confidence. Our results indicate that such computational indices may reveal the components and complex dynamics of consumer psychology as a collective socio-economic phenomenon, potentially leading to improved and more refined economic forecasting.
Directory of Open Access Journals (Sweden)
Xianlei Dong
Full Text Available Economies are instances of complex socio-technical systems that are shaped by the interactions of large numbers of individuals. The individual behavior and decision-making of consumer agents is determined by complex psychological dynamics that include their own assessment of present and future economic conditions as well as those of others, potentially leading to feedback loops that affect the macroscopic state of the economic system. We propose that the large-scale interactions of a nation's citizens with its online resources can reveal the complex dynamics of their collective psychology, including their assessment of future system states. Here we introduce a behavioral index of Chinese Consumer Confidence (C3I that computationally relates large-scale online search behavior recorded by Google Trends data to the macroscopic variable of consumer confidence. Our results indicate that such computational indices may reveal the components and complex dynamics of consumer psychology as a collective socio-economic phenomenon, potentially leading to improved and more refined economic forecasting.
Implicit solvers for large-scale nonlinear problems
International Nuclear Information System (INIS)
Keyes, David E; Reynolds, Daniel R; Woodward, Carol S
2006-01-01
Computational scientists are grappling with increasingly complex, multi-rate applications that couple such physical phenomena as fluid dynamics, electromagnetics, radiation transport, chemical and nuclear reactions, and wave and material propagation in inhomogeneous media. Parallel computers with large storage capacities are paving the way for high-resolution simulations of coupled problems; however, hardware improvements alone will not prove enough to enable simulations based on brute-force algorithmic approaches. To accurately capture nonlinear couplings between dynamically relevant phenomena, often while stepping over rapid adjustments to quasi-equilibria, simulation scientists are increasingly turning to implicit formulations that require a discrete nonlinear system to be solved for each time step or steady state solution. Recent advances in iterative methods have made fully implicit formulations a viable option for solution of these large-scale problems. In this paper, we overview one of the most effective iterative methods, Newton-Krylov, for nonlinear systems and point to software packages with its implementation. We illustrate the method with an example from magnetically confined plasma fusion and briefly survey other areas in which implicit methods have bestowed important advantages, such as allowing high-order temporal integration and providing a pathway to sensitivity analyses and optimization. Lastly, we overview algorithm extensions under development motivated by current SciDAC applications
Establishment of DNS database in a turbulent channel flow by large-scale simulations
Abe, Hiroyuki; Kawamura, Hiroshi; 阿部 浩幸; 河村 洋
2008-01-01
In the present study, we establish statistical DNS (Direct Numerical Simulation) database in a turbulent channel flow with passive scalar transport at high Reynolds numbers and make the data available at our web site (http://murasun.me.noda.tus.ac.jp/turbulence/). The established database is reported together with the implementation of large-scale simulations, representative DNS results and results on turbulence model testing using the DNS data.
Large eddy simulation of new subgrid scale model for three-dimensional bundle flows
International Nuclear Information System (INIS)
Barsamian, H.R.; Hassan, Y.A.
2004-01-01
Having led to increased inefficiencies and power plant shutdowns fluid flow induced vibrations within heat exchangers are of great concern due to tube fretting-wear or fatigue failures. Historically, scaling law and measurement accuracy problems were encountered for experimental analysis at considerable effort and expense. However, supercomputers and accurate numerical methods have provided reliable results and substantial decrease in cost. In this investigation Large Eddy Simulation has been successfully used to simulate turbulent flow by the numeric solution of the incompressible, isothermal, single phase Navier-Stokes equations. The eddy viscosity model and a new subgrid scale model have been utilized to model the smaller eddies in the flow domain. A triangular array flow field was considered and numerical simulations were performed in two- and three-dimensional fields, and were compared to experimental findings. Results show good agreement of the numerical findings to that of the experimental, and solutions obtained with the new subgrid scale model represent better energy dissipation for the smaller eddies. (author)
Energy Technology Data Exchange (ETDEWEB)
Hammond, Glenn Edward; Bao, J; Huang, M; Hou, Z; Perkins, W; Harding, S; Titzler, S; Ren, H; Thorne, P; Suffield, S; Murray, C; Zachara, J
2017-03-01
Hyporheic exchange is a critical mechanism shaping hydrological and biogeochemical processes along a river corridor. Recent studies on quantifying the hyporheic exchange were mostly limited to local scales due to field inaccessibility, computational demand, and complexity of geomorphology and subsurface geology. Surface flow conditions and subsurface physical properties are well known factors on modulating the hyporheic exchange, but quantitative understanding of their impacts on the strength and direction of hyporheic exchanges at reach scales is absent. In this study, a high resolution computational fluid dynamics (CFD) model that couples surface and subsurface flow and transport is employed to simulate hyporheic exchanges in a 7-km long reach along the main-stem of the Columbia River. Assuming that the hyporheic exchange does not affect surface water flow conditions due to its negligible magnitude compared to the volume and velocity of river water, we developed a one-way coupled surface and subsurface water flow model using the commercial CFD software STAR-CCM+. The model integrates the Reynolds-averaged Navier-Stokes (RANS) equation solver with a realizable κ-ε two-layer turbulence model, a two-layer all y^{+} wall treatment, and the volume of fluid (VOF) method, and is used to simulate hyporheic exchanges by tracking the free water-air interface as well as flow in the river and the subsurface porous media. The model is validated against measurements from acoustic Doppler current profiler (ADCP) in the stream water and hyporheic fluxes derived from a set of temperature profilers installed across the riverbed. The validated model is then employed to systematically investigate how hyporheic exchanges are influenced by surface water fluid dynamics strongly regulated by upstream dam operations, as well as subsurface structures (e.g. thickness of riverbed and subsurface formation layers) and hydrogeological properties (e.g. permeability). The results
Large-Scale, Parallel, Multi-Sensor Atmospheric Data Fusion Using Cloud Computing
Wilson, B. D.; Manipon, G.; Hua, H.; Fetzer, E. J.
2013-12-01
NASA's Earth Observing System (EOS) is an ambitious facility for studying global climate change. The mandate now is to combine measurements from the instruments on the 'A-Train' platforms (AIRS, AMSR-E, MODIS, MISR, MLS, and CloudSat) and other Earth probes to enable large-scale studies of climate change over decades. Moving to multi-sensor, long-duration analyses of important climate variables presents serious challenges for large-scale data mining and fusion. For example, one might want to compare temperature and water vapor retrievals from one instrument (AIRS) to another (MODIS), and to a model (MERRA), stratify the comparisons using a classification of the 'cloud scenes' from CloudSat, and repeat the entire analysis over 10 years of data. To efficiently assemble such datasets, we are utilizing Elastic Computing in the Cloud and parallel map/reduce-based algorithms. However, these problems are Data Intensive computing so the data transfer times and storage costs (for caching) are key issues. SciReduce is a Hadoop-like parallel analysis system, programmed in parallel python, that is designed from the ground up for Earth science. SciReduce executes inside VMWare images and scales to any number of nodes in the Cloud. Unlike Hadoop, SciReduce operates on bundles of named numeric arrays, which can be passed in memory or serialized to disk in netCDF4 or HDF5. Figure 1 shows the architecture of the full computational system, with SciReduce at the core. Multi-year datasets are automatically 'sharded' by time and space across a cluster of nodes so that years of data (millions of files) can be processed in a massively parallel way. Input variables (arrays) are pulled on-demand into the Cloud using OPeNDAP URLs or other subsetting services, thereby minimizing the size of the cached input and intermediate datasets. We are using SciReduce to automate the production of multiple versions of a ten-year A-Train water vapor climatology under a NASA MEASURES grant. We will
Huang, Jingfeng; Hsu, N. Christina; Tsay, Si-Chee; Zhang, Chidong; Jeong, Myeong Jae; Gautam, Ritesh; Bettenhausen, Corey; Sayer, Andrew M.; Hansell, Richard A.; Liu, Xiaohong;
2012-01-01
One of the seven scientific areas of interests of the 7-SEAS field campaign is to evaluate the impact of aerosol on cloud and precipitation (http://7-seas.gsfc.nasa.gov). However, large-scale covariability between aerosol, cloud and precipitation is complicated not only by ambient environment and a variety of aerosol effects, but also by effects from rain washout and climate factors. This study characterizes large-scale aerosol-cloud-precipitation covariability through synergy of long-term multi ]sensor satellite observations with model simulations over the 7-SEAS region [10S-30N, 95E-130E]. Results show that climate factors such as ENSO significantly modulate aerosol and precipitation over the region simultaneously. After removal of climate factor effects, aerosol and precipitation are significantly anti-correlated over the southern part of the region, where high aerosols loading is associated with overall reduced total precipitation with intensified rain rates and decreased rain frequency, decreased tropospheric latent heating, suppressed cloud top height and increased outgoing longwave radiation, enhanced clear-sky shortwave TOA flux but reduced all-sky shortwave TOA flux in deep convective regimes; but such covariability becomes less notable over the northern counterpart of the region where low ]level stratus are found. Using CO as a proxy of biomass burning aerosols to minimize the washout effect, large-scale covariability between CO and precipitation was also investigated and similar large-scale covariability observed. Model simulations with NCAR CAM5 were found to show similar effects to observations in the spatio-temporal patterns. Results from both observations and simulations are valuable for improving our understanding of this region's meteorological system and the roles of aerosol within it. Key words: aerosol; precipitation; large-scale covariability; aerosol effects; washout; climate factors; 7- SEAS; CO; CAM5
Large Scale Simulation of Hydrogen Dispersion by a Stabilized Balancing Domain Decomposition Method
Directory of Open Access Journals (Sweden)
Qing-He Yao
2014-01-01
Full Text Available The dispersion behaviour of leaking hydrogen in a partially open space is simulated by a balancing domain decomposition method in this work. An analogy of the Boussinesq approximation is employed to describe the connection between the flow field and the concentration field. The linear systems of Navier-Stokes equations and the convection diffusion equation are symmetrized by a pressure stabilized Lagrange-Galerkin method, and thus a balancing domain decomposition method is enabled to solve the interface problem of the domain decomposition system. Numerical results are validated by comparing with the experimental data and available numerical results. The dilution effect of ventilation is investigated, especially at the doors, where flow pattern is complicated and oscillations appear in the past research reported by other researchers. The transient behaviour of hydrogen and the process of accumulation in the partially open space are discussed, and more details are revealed by large scale computation.
A Combined Eulerian-Lagrangian Data Representation for Large-Scale Applications.
Sauer, Franz; Xie, Jinrong; Ma, Kwan-Liu
2017-10-01
The Eulerian and Lagrangian reference frames each provide a unique perspective when studying and visualizing results from scientific systems. As a result, many large-scale simulations produce data in both formats, and analysis tasks that simultaneously utilize information from both representations are becoming increasingly popular. However, due to their fundamentally different nature, drawing correlations between these data formats is a computationally difficult task, especially in a large-scale setting. In this work, we present a new data representation which combines both reference frames into a joint Eulerian-Lagrangian format. By reorganizing Lagrangian information according to the Eulerian simulation grid into a "unit cell" based approach, we can provide an efficient out-of-core means of sampling, querying, and operating with both representations simultaneously. We also extend this design to generate multi-resolution subsets of the full data to suit the viewer's needs and provide a fast flow-aware trajectory construction scheme. We demonstrate the effectiveness of our method using three large-scale real world scientific datasets and provide insight into the types of performance gains that can be achieved.
Theoretical science and the future of large scale computing
International Nuclear Information System (INIS)
Wilson, K.G.
1983-01-01
The author describes the application of computer simulation to physical problems. In this connection the FORTRAN language is considered. Furthermore the application of computer networks is described whereby the processing of experimental data is considered. (HSI).
Simulating Biomass Fast Pyrolysis at the Single Particle Scale
Energy Technology Data Exchange (ETDEWEB)
Ciesielski, Peter [National Renewable Energy Laboratory (NREL); Wiggins, Gavin [ORNL; Daw, C Stuart [ORNL; Jakes, Joseph E. [U.S. Forest Service, Forest Products Laboratory, Madison, Wisconsin, USA
2017-07-01
Simulating fast pyrolysis at the scale of single particles allows for the investigation of the impacts of feedstock-specific parameters such as particle size, shape, and species of origin. For this reason particle-scale modeling has emerged as an important tool for understanding how variations in feedstock properties affect the outcomes of pyrolysis processes. The origins of feedstock properties are largely dictated by the composition and hierarchical structure of biomass, from the microstructural porosity to the external morphology of milled particles. These properties may be accounted for in simulations of fast pyrolysis by several different computational approaches depending on the level of structural and chemical complexity included in the model. The predictive utility of particle-scale simulations of fast pyrolysis can still be enhanced substantially by advancements in several areas. Most notably, considerable progress would be facilitated by the development of pyrolysis kinetic schemes that are decoupled from transport phenomena, predict product evolution from whole-biomass with increased chemical speciation, and are still tractable with present-day computational resources.
Streaming Parallel GPU Acceleration of Large-Scale filter-based Spiking Neural Networks
L.P. Slazynski (Leszek); S.M. Bohte (Sander)
2012-01-01
htmlabstractThe arrival of graphics processing (GPU) cards suitable for massively parallel computing promises a↵ordable large-scale neural network simulation previously only available at supercomputing facil- ities. While the raw numbers suggest that GPUs may outperform CPUs by at least an order of
Crystallisation of a Lennard-Jones fluid by large scale molecular dynamics simulation
International Nuclear Information System (INIS)
Snook, I.
1998-01-01
Full text: The evolution of the structure of a large system of atoms interacting via a Lennard-Jones pair potential was simulated by the use of the Molecular Dynamics computer simulation technique. The system was initially equilibrated in the one phase region of the phase diagram at a temperature above critical then a temperature quench was performed which placed the system in a region were the single fluid phase was unstable. Quenches to below the triple point temperature gave rise to crystallisation The mechanism and final morphology is shown to depend strongly on the starting conditions e.g. the starting density
Energy Technology Data Exchange (ETDEWEB)
Suzuki, Mitsuhiro; Nakamura, Hideo; Ohtsu, Iwao [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment] [and others
2003-03-01
The Large Scale Test Facility (LSTF) is a full-height and 1/48 volumetrically scaled test facility of the Japan Atomic Energy Research Institute (JAERI) for system integral experiments simulating the thermal-hydraulic responses at full-pressure conditions of a 1100 MWe-class pressurized water reactor (PWR) during small break loss-of-coolant accidents (SBLOCAs) and other transients. The LSTF can also simulate well a next-generation type PWR such as the AP600 reactor. In the fifth phase of the Rig-of-Safety Assessment (ROSA-V) Program, eighty nine experiments have been conducted at the LSTF with the third simulated fuel assembly until June 2001, and five experiments have been conducted with the newly-installed fourth simulated fuel assembly until December 2002. In the ROSA-V program, various system integral experiments have been conducted to certify effectiveness of both accident management (AM) measures in beyond design basis accidents (BDBAs) and improved safety systems in the next-generation reactors. In addition, various separate-effect tests have been conducted to verify and develop computer codes and analytical models to predict non-homogeneous and multi-dimensional phenomena such as heat transfer across the steam generator U-tubes under the presence of non-condensable gases in both current and next-generation reactors. This report presents detailed information of the LSTF system with the third and fourth simulated fuel assemblies for the aid of experiment planning and analyses of experiment results. (author)
Large-eddy simulation of sand dune morphodynamics
Khosronejad, Ali; Sotiropoulos, Fotis; St. Anthony Falls Laboratory, University of Minnesota Team
2015-11-01
Sand dunes are natural features that form under complex interaction between turbulent flow and bed morphodynamics. We employ a fully-coupled 3D numerical model (Khosronejad and Sotiropoulos, 2014, Journal of Fluid Mechanics, 753:150-216) to perform high-resolution large-eddy simulations of turbulence and bed morphodynamics in a laboratory scale mobile-bed channel to investigate initiation, evolution and quasi-equilibrium of sand dunes (Venditti and Church, 2005, J. Geophysical Research, 110:F01009). We employ a curvilinear immersed boundary method along with convection-diffusion and bed-morphodynamics modules to simulate the suspended sediment and the bed-load transports respectively. The coupled simulation were carried out on a grid with more than 100 million grid nodes and simulated about 3 hours of physical time of dune evolution. The simulations provide the first complete description of sand dune formation and long-term evolution. The geometric characteristics of the simulated dunes are shown to be in excellent agreement with observed data obtained across a broad range of scales. This work was supported by NSF Grants EAR-0120914 (as part of the National Center for Earth-Surface Dynamics). Computational resources were provided by the University of Minnesota Supercomputing Institute.
Copy of Using Emulation and Simulation to Understand the Large-Scale Behavior of the Internet.
Energy Technology Data Exchange (ETDEWEB)
Adalsteinsson, Helgi; Armstrong, Robert C.; Chiang, Ken; Gentile, Ann C.; Lloyd, Levi; Minnich, Ronald G.; Vanderveen, Keith; Van Randwyk, Jamie A; Rudish, Don W.
2008-10-01
We report on the work done in the late-start LDRDUsing Emulation and Simulation toUnderstand the Large-Scale Behavior of the Internet. We describe the creation of a researchplatform that emulates many thousands of machines to be used for the study of large-scale inter-net behavior. We describe a proof-of-concept simple attack we performed in this environment.We describe the successful capture of a Storm bot and, from the study of the bot and furtherliterature search, establish large-scale aspects we seek to understand via emulation of Storm onour research platform in possible follow-on work. Finally, we discuss possible future work.3
Tang, G.; Bartlein, P. J.
2012-08-01
Satellite-based data, such as vegetation type and fractional vegetation cover, are widely used in hydrologic models to prescribe the vegetation state in a study region. Dynamic global vegetation models (DGVM) simulate land surface hydrology. Incorporation of satellite-based data into a DGVM may enhance a model's ability to simulate land surface hydrology by reducing the task of model parameterization and providing distributed information on land characteristics. The objectives of this study are to (i) modify a DGVM for simulating land surface water balances; (ii) evaluate the modified model in simulating actual evapotranspiration (ET), soil moisture, and surface runoff at regional or watershed scales; and (iii) gain insight into the ability of both the original and modified model to simulate large spatial scale land surface hydrology. To achieve these objectives, we introduce the "LPJ-hydrology" (LH) model which incorporates satellite-based data into the Lund-Potsdam-Jena (LPJ) DGVM. To evaluate the model we ran LH using historical (1981-2006) climate data and satellite-based land covers at 2.5 arc-min grid cells for the conterminous US and for the entire world using coarser climate and land cover data. We evaluated the simulated ET, soil moisture, and surface runoff using a set of observed or simulated data at different spatial scales. Our results demonstrate that spatial patterns of LH-simulated annual ET and surface runoff are in accordance with previously published data for the US; LH-modeled monthly stream flow for 12 major rivers in the US was consistent with observed values respectively during the years 1981-2006 (R2 > 0.46, p 0.52). The modeled mean annual discharges for 10 major rivers worldwide also agreed well (differences day method for snowmelt computation, the addition of the solar radiation effect on snowmelt enabled LH to better simulate monthly stream flow in winter and early spring for rivers located at mid-to-high latitudes. In addition, LH
Hines, Michael L; Eichner, Hubert; Schürmann, Felix
2008-08-01
Neuron tree topology equations can be split into two subtrees and solved on different processors with no change in accuracy, stability, or computational effort; communication costs involve only sending and receiving two double precision values by each subtree at each time step. Splitting cells is useful in attaining load balance in neural network simulations, especially when there is a wide range of cell sizes and the number of cells is about the same as the number of processors. For compute-bound simulations load balance results in almost ideal runtime scaling. Application of the cell splitting method to two published network models exhibits good runtime scaling on twice as many processors as could be effectively used with whole-cell balancing.
Evaluation of sub grid scale and local wall models in Large-eddy simulations of separated flow
Sam Ali Al; Szasz Robert; Revstedt Johan
2015-01-01
The performance of the Sub Grid Scale models is studied by simulating a separated flow over a wavy channel. The first and second order statistical moments of the resolved velocities obtained by using Large-Eddy simulations at different mesh resolutions are compared with Direct Numerical Simulations data. The effectiveness of modeling the wall stresses by using local log-law is then tested on a relatively coarse grid. The results exhibit a good agreement between highly-resolved Large Eddy Simu...
Prasad, K.
2017-12-01
Atmospheric transport is usually performed with weather models, e.g., the Weather Research and Forecasting (WRF) model that employs a parameterized turbulence model and does not resolve the fine scale dynamics generated by the flow around buildings and features comprising a large city. The NIST Fire Dynamics Simulator (FDS) is a computational fluid dynamics model that utilizes large eddy simulation methods to model flow around buildings at length scales much smaller than is practical with models like WRF. FDS has the potential to evaluate the impact of complex topography on near-field dispersion and mixing that is difficult to simulate with a mesoscale atmospheric model. A methodology has been developed to couple the FDS model with WRF mesoscale transport models. The coupling is based on nudging the FDS flow field towards that computed by WRF, and is currently limited to one way coupling performed in an off-line mode. This approach allows the FDS model to operate as a sub-grid scale model with in a WRF simulation. To test and validate the coupled FDS - WRF model, the methane leak from the Aliso Canyon underground storage facility was simulated. Large eddy simulations were performed over the complex topography of various natural gas storage facilities including Aliso Canyon, Honor Rancho and MacDonald Island at 10 m horizontal and vertical resolution. The goal of these simulations included improving and validating transport models as well as testing leak hypotheses. Forward simulation results were compared with aircraft and tower based in-situ measurements as well as methane plumes observed using the NASA Airborne Visible InfraRed Imaging Spectrometer (AVIRIS) and the next generation instrument AVIRIS-NG. Comparison of simulation results with measurement data demonstrate the capability of the coupled FDS-WRF models to accurately simulate the transport and dispersion of methane plumes over urban domains. Simulated integrated methane enhancements will be presented and
Concepts and Plans towards fast large scale Monte Carlo production for the ATLAS Experiment
Ritsch, E.; Atlas Collaboration
2014-06-01
The huge success of the physics program of the ATLAS experiment at the Large Hadron Collider (LHC) during Run 1 relies upon a great number of simulated Monte Carlo events. This Monte Carlo production takes the biggest part of the computing resources being in use by ATLAS as of now. In this document we describe the plans to overcome the computing resource limitations for large scale Monte Carlo production in the ATLAS Experiment for Run 2, and beyond. A number of fast detector simulation, digitization and reconstruction techniques are being discussed, based upon a new flexible detector simulation framework. To optimally benefit from these developments, a redesigned ATLAS MC production chain is presented at the end of this document.
Nesting Large-Eddy Simulations Within Mesoscale Simulations for Wind Energy Applications
Lundquist, J. K.; Mirocha, J. D.; Chow, F. K.; Kosovic, B.; Lundquist, K. A.
2008-12-01
With increasing demand for more accurate atmospheric simulations for wind turbine micrositing, for operational wind power forecasting, and for more reliable turbine design, simulations of atmospheric flow with resolution of tens of meters or higher are required. These time-dependent large-eddy simulations (LES) account for complex terrain and resolve individual atmospheric eddies on length scales smaller than turbine blades. These small-domain high-resolution simulations are possible with a range of commercial and open- source software, including the Weather Research and Forecasting (WRF) model. In addition to "local" sources of turbulence within an LES domain, changing weather conditions outside the domain can also affect flow, suggesting that a mesoscale model provide boundary conditions to the large-eddy simulations. Nesting a large-eddy simulation within a mesoscale model requires nuanced representations of turbulence. Our group has improved the Weather and Research Forecating model's (WRF) LES capability by implementing the Nonlinear Backscatter and Anisotropy (NBA) subfilter stress model following Kosoviæ (1997) and an explicit filtering and reconstruction technique to compute the Resolvable Subfilter-Scale (RSFS) stresses (following Chow et al, 2005). We have also implemented an immersed boundary method (IBM) in WRF to accommodate complex terrain. These new models improve WRF's LES capabilities over complex terrain and in stable atmospheric conditions. We demonstrate approaches to nesting LES within a mesoscale simulation for farms of wind turbines in hilly regions. Results are sensitive to the nesting method, indicating that care must be taken to provide appropriate boundary conditions, and to allow adequate spin-up of turbulence in the LES domain. This work is performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
Chatterjee, Tanmoy; Peet, Yulia T.
2018-03-01
Length scales of eddies involved in the power generation of infinite wind farms are studied by analyzing the spectra of the turbulent flux of mean kinetic energy (MKE) from large eddy simulations (LES). Large-scale structures with an order of magnitude bigger than the turbine rotor diameter (D ) are shown to have substantial contribution to wind power. Varying dynamics in the intermediate scales (D -10 D ) are also observed from a parametric study involving interturbine distances and hub height of the turbines. Further insight about the eddies responsible for the power generation have been provided from the scaling analysis of two-dimensional premultiplied spectra of MKE flux. The LES code is developed in a high Reynolds number near-wall modeling framework, using an open-source spectral element code Nek5000, and the wind turbines have been modelled using a state-of-the-art actuator line model. The LES of infinite wind farms have been validated against the statistical results from the previous literature. The study is expected to improve our understanding of the complex multiscale dynamics in the domain of large wind farms and identify the length scales that contribute to the power. This information can be useful for design of wind farm layout and turbine placement that take advantage of the large-scale structures contributing to wind turbine power.
Lattice QCD - a challenge in large scale computing
International Nuclear Information System (INIS)
Schilling, K.
1987-01-01
The computation of the hadron spectrum within the framework of lattice QCD sets a demanding goal for the application of supercomputers in basic science. It requires both big computer capacities and clever algorithms to fight all the numerical evils that one encounters in the Euclidean space-time-world. The talk will attempt to introduce to the present state of the art of spectrum calculations by lattice simulations. (orig.)
Computational biology in the cloud: methods and new insights from computing at scale.
Kasson, Peter M
2013-01-01
The past few years have seen both explosions in the size of biological data sets and the proliferation of new, highly flexible on-demand computing capabilities. The sheer amount of information available from genomic and metagenomic sequencing, high-throughput proteomics, experimental and simulation datasets on molecular structure and dynamics affords an opportunity for greatly expanded insight, but it creates new challenges of scale for computation, storage, and interpretation of petascale data. Cloud computing resources have the potential to help solve these problems by offering a utility model of computing and storage: near-unlimited capacity, the ability to burst usage, and cheap and flexible payment models. Effective use of cloud computing on large biological datasets requires dealing with non-trivial problems of scale and robustness, since performance-limiting factors can change substantially when a dataset grows by a factor of 10,000 or more. New computing paradigms are thus often needed. The use of cloud platforms also creates new opportunities to share data, reduce duplication, and to provide easy reproducibility by making the datasets and computational methods easily available.
Linkmann, Moritz; Buzzicotti, Michele; Biferale, Luca
2018-06-01
We provide analytical and numerical results concerning multi-scale correlations between the resolved velocity field and the subgrid-scale (SGS) stress-tensor in large eddy simulations (LES). Following previous studies for Navier-Stokes equations, we derive the exact hierarchy of LES equations governing the spatio-temporal evolution of velocity structure functions of any order. The aim is to assess the influence of the subgrid model on the inertial range intermittency. We provide a series of predictions, within the multifractal theory, for the scaling of correlation involving the SGS stress and we compare them against numerical results from high-resolution Smagorinsky LES and from a-priori filtered data generated from direct numerical simulations (DNS). We find that LES data generally agree very well with filtered DNS results and with the multifractal prediction for all leading terms in the balance equations. Discrepancies are measured for some of the sub-leading terms involving cross-correlation between resolved velocity increments and the SGS tensor or the SGS energy transfer, suggesting that there must be room to improve the SGS modelisation to further extend the inertial range properties for any fixed LES resolution.
Energy Technology Data Exchange (ETDEWEB)
Beji, Tarek; Merci, Bart [Ghent Univ. (Belgium). Dept. of Flow, Heat and Combustion Mechanics; Bonte, Frederick [Bel V, Brussels (Belgium)
2015-12-15
This paper presents a computational fluid dynamics (CFD)-based modelling strategy for real-scale cable tray fires. The challenge was to perform fully predictive simulations (that could be called 'blind' simulations) using solely information from laboratory-scale experiments, in addition to the geometrical arrangement of the cables. The results of the latter experiments were used (1) to construct the fuel molecule and the chemical reaction for combustion, and (2) to estimate the overall pyrolysis and burning behaviour. More particularly, the strategy regarding the second point consists of adopting a surface-based pyrolysis model. Since the burning behaviour of each cable could not be tracked individually (due to computational constraints), 'groups' of cables were modelled with an overall cable surface area equal to the actual value. The results obtained for one large-scale test (a stack of five horizontal trays) are quite encouraging, especially for the peak Heat Release Rate (HRR) that was predicted with a relative deviation of 3 %. The time to reach the peak is however overestimated by 4.7 min (i.e. 94 %). Also, the fire duration is overestimated by 5 min (i.e. 24 %). These discrepancies are mainly attributed to differences in the HRRPUA (heat release rate per unit area) profiles between the small-scale and large-scale. The latter was calculated by estimating the burning area of cables using video fire analysis (VFA).
A Report on Simulation-Driven Reliability and Failure Analysis of Large-Scale Storage Systems
Energy Technology Data Exchange (ETDEWEB)
Wan, Lipeng [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wang, Feiyi [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Oral, H. Sarp [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Vazhkudai, Sudharshan S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Cao, Qing [Univ. of Tennessee, Knoxville, TN (United States)
2014-11-01
High-performance computing (HPC) storage systems provide data availability and reliability using various hardware and software fault tolerance techniques. Usually, reliability and availability are calculated at the subsystem or component level using limited metrics such as, mean time to failure (MTTF) or mean time to data loss (MTTDL). This often means settling on simple and disconnected failure models (such as exponential failure rate) to achieve tractable and close-formed solutions. However, such models have been shown to be insufficient in assessing end-to-end storage system reliability and availability. We propose a generic simulation framework aimed at analyzing the reliability and availability of storage systems at scale, and investigating what-if scenarios. The framework is designed for an end-to-end storage system, accommodating the various components and subsystems, their interconnections, failure patterns and propagation, and performs dependency analysis to capture a wide-range of failure cases. We evaluate the framework against a large-scale storage system that is in production and analyze its failure projections toward and beyond the end of lifecycle. We also examine the potential operational impact by studying how different types of components affect the overall system reliability and availability, and present the preliminary results
Scalable space-time adaptive simulation tools for computational electrocardiology
Krause, Dorian; Krause, Rolf
2013-01-01
This work is concerned with the development of computational tools for the solution of reaction-diffusion equations from the field of computational electrocardiology. We designed lightweight spatially and space-time adaptive schemes for large-scale parallel simulations. We propose two different adaptive schemes based on locally structured meshes, managed either via a conforming coarse tessellation or a forest of shallow trees. A crucial ingredient of our approach is a non-conforming morta...
Large eddy simulation of bundle turbulent flows
International Nuclear Information System (INIS)
Hassan, Y.A.; Barsamian, H.R.
1995-01-01
Large eddy simulation may be defined as simulation of a turbulent flow in which the large scale motions are explicitly resolved while the small scale motions are modeled. This results into a system of equations that require closure models. The closure models relate the effects of the small scale motions onto the large scale motions. There have been several models developed, the most popular is the Smagorinsky eddy viscosity model. A new model has recently been introduced by Lee that modified the Smagorinsky model. Using both of the above mentioned closure models, two different geometric arrangements were used in the simulation of turbulent cross flow within rigid tube bundles. An inlined array simulations was performed for a deep bundle (10,816 nodes) as well as an inlet/outlet simulation (57,600 nodes). Comparisons were made to available experimental data. Flow visualization enabled the distinction of different characteristics within the flow such as jet switching effects in the wake of the bundle flow for the inlet/outlet simulation case, as well as within tube bundles. The results indicate that the large eddy simulation technique is capable of turbulence prediction and may be used as a viable engineering tool with the careful consideration of the subgrid scale model. (author)
Zhang, Yangyue; Hu, Ruifeng; Zheng, Xiaojing
2018-04-01
Dust particles can remain suspended in the atmospheric boundary layer, motions of which are primarily determined by turbulent diffusion and gravitational settling. Little is known about the spatial organizations of suspended dust concentration and how turbulent coherent motions contribute to the vertical transport of dust particles. Numerous studies in recent years have revealed that large- and very-large-scale motions in the logarithmic region of laboratory-scale turbulent boundary layers also exist in the high Reynolds number atmospheric boundary layer, but their influence on dust transport is still unclear. In this study, numerical simulations of dust transport in a neutral atmospheric boundary layer based on an Eulerian modeling approach and large-eddy simulation technique are performed to investigate the coherent structures of dust concentration. The instantaneous fields confirm the existence of very long meandering streaks of dust concentration, with alternating high- and low-concentration regions. A strong negative correlation between the streamwise velocity and concentration and a mild positive correlation between the vertical velocity and concentration are observed. The spatial length scales and inclination angles of concentration structures are determined, compared with their flow counterparts. The conditionally averaged fields vividly depict that high- and low-concentration events are accompanied by a pair of counter-rotating quasi-streamwise vortices, with a downwash inside the low-concentration region and an upwash inside the high-concentration region. Through the quadrant analysis, it is indicated that the vertical dust transport is closely related to the large-scale roll modes, and ejections in high-concentration regions are the major mechanisms for the upward motions of dust particles.
Standing Together for Reproducibility in Large-Scale Computing: Report on reproducibility@XSEDE
James, Doug; Wilkins-Diehr, Nancy; Stodden, Victoria; Colbry, Dirk; Rosales, Carlos; Fahey, Mark; Shi, Justin; Silva, Rafael F.; Lee, Kyo; Roskies, Ralph; Loewe, Laurence; Lindsey, Susan; Kooper, Rob; Barba, Lorena; Bailey, David
2014-01-01
This is the final report on reproducibility@xsede, a one-day workshop held in conjunction with XSEDE14, the annual conference of the Extreme Science and Engineering Discovery Environment (XSEDE). The workshop's discussion-oriented agenda focused on reproducibility in large-scale computational research. Two important themes capture the spirit of the workshop submissions and discussions: (1) organizational stakeholders, especially supercomputer centers, are in a unique position to promote, enab...
Planetary Structures And Simulations Of Large-scale Impacts On Mars
Swift, Damian; El-Dasher, B.
2009-09-01
The impact of large meteroids is a possible cause for isolated orogeny on bodies devoid of tectonic activity. On Mars, there is a significant, but not perfect, correlation between large, isolated volcanoes and antipodal impact craters. On Mercury and the Moon, brecciated terrain and other unusual surface features can be found at the antipodes of large impact sites. On Earth, there is a moderate correlation between long-lived mantle hotspots at opposite sides of the planet, with meteoroid impact suggested as a possible cause. If induced by impacts, the mechanisms of orogeny and volcanism thus appear to vary between these bodies, presumably because of differences in internal structure. Continuum mechanics (hydrocode) simulations have been used to investigate the response of planetary bodies to impacts, requiring assumptions about the structure of the body: its composition and temperature profile, and the constitutive properties (equation of state, strength, viscosity) of the components. We are able to predict theoretically and test experimentally the constitutive properties of matter under planetary conditions, with reasonable accuracy. To provide a reference series of simulations, we have constructed self-consistent planetary structures using simplified compositions (Fe core and basalt-like mantle), which turn out to agree surprisingly well with the moments of inertia. We have performed simulations of large-scale impacts, studying the transmission of energy to the antipodes. For Mars, significant antipodal heating to depths of a few tens of kilometers was predicted from compression waves transmitted through the mantle. Such heating is a mechanism for volcanism on Mars, possibly in conjunction with crustal cracking induced by surface waves. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
Feldmann, Daniel; Bauer, Christian; Wagner, Claus
2018-03-01
We present results from direct numerical simulations (DNS) of turbulent pipe flow at shear Reynolds numbers up to Reτ = 1500 using different computational domains with lengths up to ?. The objectives are to analyse the effect of the finite size of the periodic pipe domain on large flow structures in dependency of Reτ and to assess a minimum ? required for relevant turbulent scales to be captured and a minimum Reτ for very large-scale motions (VLSM) to be analysed. Analysing one-point statistics revealed that the mean velocity profile is invariant for ?. The wall-normal location at which deviations occur in shorter domains changes strongly with increasing Reτ from the near-wall region to the outer layer, where VLSM are believed to live. The root mean square velocity profiles exhibit domain length dependencies for pipes shorter than 14R and 7R depending on Reτ. For all Reτ, the higher-order statistical moments show only weak dependencies and only for the shortest domain considered here. However, the analysis of one- and two-dimensional pre-multiplied energy spectra revealed that even for larger ?, not all physically relevant scales are fully captured, even though the aforementioned statistics are in good agreement with the literature. We found ? to be sufficiently large to capture VLSM-relevant turbulent scales in the considered range of Reτ based on our definition of an integral energy threshold of 10%. The requirement to capture at least 1/10 of the global maximum energy level is justified by a 14% increase of the streamwise turbulence intensity in the outer region between Reτ = 720 and 1500, which can be related to VLSM-relevant length scales. Based on this scaling anomaly, we found Reτ⪆1500 to be a necessary minimum requirement to investigate VLSM-related effects in pipe flow, even though the streamwise energy spectra does not yet indicate sufficient scale separation between the most energetic and the very long motions.
International Nuclear Information System (INIS)
Sen, Oishik; Davis, Sean; Jacobs, Gustaaf; Udaykumar, H.S.
2015-01-01
The effectiveness of several metamodeling techniques, viz. the Polynomial Stochastic Collocation method, Adaptive Stochastic Collocation method, a Radial Basis Function Neural Network, a Kriging Method and a Dynamic Kriging Method is evaluated. This is done with the express purpose of using metamodels to bridge scales between micro- and macro-scale models in a multi-scale multimaterial simulation. The rate of convergence of the error when used to reconstruct hypersurfaces of known functions is studied. For sufficiently large number of training points, Stochastic Collocation methods generally converge faster than the other metamodeling techniques, while the DKG method converges faster when the number of input points is less than 100 in a two-dimensional parameter space. Because the input points correspond to computationally expensive micro/meso-scale computations, the DKG is favored for bridging scales in a multi-scale solver
Testing of Large-Scale ICV Glasses with Hanford LAW Simulant
Energy Technology Data Exchange (ETDEWEB)
Hrma, Pavel R.; Kim, Dong-Sang; Vienna, John D.; Matyas, Josef; Smith, Donald E.; Schweiger, Michael J.; Yeager, John D.
2005-03-01
Preliminary glass compositions for immobilizing Hanford low-activity waste (LAW) by the in-container vitrification (ICV) process were initially fabricated at crucible- and engineering-scale, including simulants and actual (radioactive) LAW. Glasses were characterized for vapor hydration test (VHT) and product consistency test (PCT) responses and crystallinity (both quenched and slow-cooled samples). Selected glasses were tested for toxicity characteristic leach procedure (TCLP) responses, viscosity, and electrical conductivity. This testing showed that glasses with LAW loading of 20 mass% can be made readily and meet all product constraints by a far margin. Glasses with over 22 mass% Na2O can be made to meet all other product quality and process constraints. Large-scale testing was performed at the AMEC, Geomelt Division facility in Richland. Three tests were conducted using simulated LAW with increasing loadings of 12, 17, and 20 mass% Na2O. Glass samples were taken from the test products in a manner to represent the full expected range of product performance. These samples were characterized for composition, density, crystalline and non-crystalline phase assemblage, and durability using the VHT, PCT, and TCLP tests. The results, presented in this report, show that the AMEC ICV product with meets all waste form requirements with a large margin. These results provide strong evidence that the Hanford LAW can be successfully vitrified by the ICV technology and can meet all the constraints related to product quality. The economic feasibility of the ICV technology can be further enhanced by subsequent optimization.
Directory of Open Access Journals (Sweden)
O. H. Otterå
2009-11-01
Full Text Available The Bergen Climate Model (BCM is a fully-coupled atmosphere-ocean-sea-ice model that provides state-of-the-art computer simulations of the Earth's past, present, and future climate. Here, a pre-industrial multi-century simulation with an updated version of BCM is described and compared to observational data. The model is run without any form of flux adjustments and is stable for several centuries. The simulated climate reproduces the general large-scale circulation in the atmosphere reasonably well, except for a positive bias in the high latitude sea level pressure distribution. Also, by introducing an updated turbulence scheme in the atmosphere model a persistent cold bias has been eliminated. For the ocean part, the model drifts in sea surface temperatures and salinities are considerably reduced compared to earlier versions of BCM. Improved conservation properties in the ocean model have contributed to this. Furthermore, by choosing a reference pressure at 2000 m and including thermobaric effects in the ocean model, a more realistic meridional overturning circulation is simulated in the Atlantic Ocean. The simulated sea-ice extent in the Northern Hemisphere is in general agreement with observational data except for summer where the extent is somewhat underestimated. In the Southern Hemisphere, large negative biases are found in the simulated sea-ice extent. This is partly related to problems with the mixed layer parametrization, causing the mixed layer in the Southern Ocean to be too deep, which in turn makes it hard to maintain a realistic sea-ice cover here. However, despite some problematic issues, the pre-industrial control simulation presented here should still be appropriate for climate change studies requiring multi-century simulations.
Trends in large-scale testing of reactor structures
International Nuclear Information System (INIS)
Blejwas, T.E.
2003-01-01
Large-scale tests of reactor structures have been conducted at Sandia National Laboratories since the late 1970s. This paper describes a number of different large-scale impact tests, pressurization tests of models of containment structures, and thermal-pressure tests of models of reactor pressure vessels. The advantages of large-scale testing are evident, but cost, in particular limits its use. As computer models have grown in size, such as number of degrees of freedom, the advent of computer graphics has made possible very realistic representation of results - results that may not accurately represent reality. A necessary condition to avoiding this pitfall is the validation of the analytical methods and underlying physical representations. Ironically, the immensely larger computer models sometimes increase the need for large-scale testing, because the modeling is applied to increasing more complex structural systems and/or more complex physical phenomena. Unfortunately, the cost of large-scale tests is a disadvantage that will likely severely limit similar testing in the future. International collaborations may provide the best mechanism for funding future programs with large-scale tests. (author)
Really Large Scale Computer Graphic Projection Using Lasers and Laser Substitutes
Rother, Paul
1989-07-01
This paper reflects on past laser projects to display vector scanned computer graphic images onto very large and irregular surfaces. Since the availability of microprocessors and high powered visible lasers, very large scale computer graphics projection have become a reality. Due to the independence from a focusing lens, lasers easily project onto distant and irregular surfaces and have been used for amusement parks, theatrical performances, concert performances, industrial trade shows and dance clubs. Lasers have been used to project onto mountains, buildings, 360° globes, clouds of smoke and water. These methods have proven successful in installations at: Epcot Theme Park in Florida; Stone Mountain Park in Georgia; 1984 Olympics in Los Angeles; hundreds of Corporate trade shows and thousands of musical performances. Using new ColorRayTM technology, the use of costly and fragile lasers is no longer necessary. Utilizing fiber optic technology, the functionality of lasers can be duplicated for new and exciting projection possibilities. The use of ColorRayTM technology has enjoyed worldwide recognition in conjunction with Pink Floyd and George Michaels' world wide tours.
Rainbow: a tool for large-scale whole-genome sequencing data analysis using cloud computing.
Zhao, Shanrong; Prenger, Kurt; Smith, Lance; Messina, Thomas; Fan, Hongtao; Jaeger, Edward; Stephens, Susan
2013-06-27
Technical improvements have decreased sequencing costs and, as a result, the size and number of genomic datasets have increased rapidly. Because of the lower cost, large amounts of sequence data are now being produced by small to midsize research groups. Crossbow is a software tool that can detect single nucleotide polymorphisms (SNPs) in whole-genome sequencing (WGS) data from a single subject; however, Crossbow has a number of limitations when applied to multiple subjects from large-scale WGS projects. The data storage and CPU resources that are required for large-scale whole genome sequencing data analyses are too large for many core facilities and individual laboratories to provide. To help meet these challenges, we have developed Rainbow, a cloud-based software package that can assist in the automation of large-scale WGS data analyses. Here, we evaluated the performance of Rainbow by analyzing 44 different whole-genome-sequenced subjects. Rainbow has the capacity to process genomic data from more than 500 subjects in two weeks using cloud computing provided by the Amazon Web Service. The time includes the import and export of the data using Amazon Import/Export service. The average cost of processing a single sample in the cloud was less than 120 US dollars. Compared with Crossbow, the main improvements incorporated into Rainbow include the ability: (1) to handle BAM as well as FASTQ input files; (2) to split large sequence files for better load balance downstream; (3) to log the running metrics in data processing and monitoring multiple Amazon Elastic Compute Cloud (EC2) instances; and (4) to merge SOAPsnp outputs for multiple individuals into a single file to facilitate downstream genome-wide association studies. Rainbow is a scalable, cost-effective, and open-source tool for large-scale WGS data analysis. For human WGS data sequenced by either the Illumina HiSeq 2000 or HiSeq 2500 platforms, Rainbow can be used straight out of the box. Rainbow is available
COMPUTATIONAL SIMULATION OF FIRE DEVELOPMENT INSIDE A TRADE CENTRE
Directory of Open Access Journals (Sweden)
Constantin LUPU
2015-07-01
Full Text Available Real scale fire experiments involve considerable costs compared to computational mathematical modelling. This paperwork is the result of such a virtual simulation of a fire occurred in a hypothetical wholesale warehouse comprising a large number of trade stands. The analysis starts from the ignition source located inside a trade stand towards the fire expansion over three groups of compartments, by highlighting the heat transfer, both in small spaces, as well as over large distances. In order to confirm the accuracy of the simulation, the obtained values are compared to the ones from the specialized literature.
Tian, Yang; Liu, Zhilin; Li, Xiaoqian; Zhang, Lihua; Li, Ruiqing; Jiang, Ripeng; Dong, Fang
2018-05-01
Ultrasonic sonotrodes play an essential role in transmitting power ultrasound into the large-scale metallic casting. However, cavitation erosion considerably impairs the in-service performance of ultrasonic sonotrodes, leading to marginal microstructural refinement. In this work, the cavitation erosion behaviour of ultrasonic sonotrodes in large-scale castings was explored using the industry-level experiments of Al alloy cylindrical ingots (i.e. 630 mm in diameter and 6000 mm in length). When introducing power ultrasound, severe cavitation erosion was found to reproducibly occur at some specific positions on ultrasonic sonotrodes. However, there is no cavitation erosion present on the ultrasonic sonotrodes that were not driven by electric generator. Vibratory examination showed cavitation erosion depended on the vibration state of ultrasonic sonotrodes. Moreover, a finite element (FE) model was developed to simulate the evolution and distribution of acoustic pressure in 3-D solidification volume. FE simulation results confirmed that significant dynamic interaction between sonotrodes and melts only happened at some specific positions corresponding to severe cavitation erosion. This work will allow for developing more advanced ultrasonic sonotrodes with better cavitation erosion-resistance, in particular for large-scale castings, from the perspectives of ultrasonic physics and mechanical design. Copyright © 2018 Elsevier B.V. All rights reserved.
Large-scale computation at PSI scientific achievements and future requirements
International Nuclear Information System (INIS)
Adelmann, A.; Markushin, V.
2008-11-01
Computational modelling and simulation are among the disciplines that have seen the most dramatic growth in capabilities in the 2Oth Century. Within the past two decades, scientific computing has become an important contributor to all scientific research programs. Computational modelling and simulation are particularly indispensable for solving research problems that are unsolvable by traditional theoretical and experimental approaches, hazardous to study, or time consuming or expensive to solve by traditional means. Many such research areas are found in PSI's research portfolio. Advances in computing technologies (including hardware and software) during the past decade have set the stage for a major step forward in modelling and simulation. We have now arrived at a situation where we have a number of otherwise unsolvable problems, where simulations are as complex as the systems under study. In 2008 the High-Performance Computing (HPC) community entered the petascale area with the heterogeneous Opteron/Cell machine, called Road Runner built by IBM for the Los Alamos National Laboratory. We are on the brink of a time where the availability of many hundreds of thousands of cores will open up new challenging possibilities in physics, algorithms (numerical mathematics) and computer science. However, to deliver on this promise, it is not enough to provide 'peak' performance in terms of peta-flops, the maximum theoretical speed a computer can attain. Most important, this must be translated into corresponding increase in the capabilities of scientific codes. This is a daunting problem that can only be solved by increasing investment in hardware, in the accompanying system software that enables the reliable use of high-end computers, in scientific competence i.e. the mathematical (parallel) algorithms that are the basis of the codes, and education. In the case of Switzerland, the white paper 'Swiss National Strategic Plan for High Performance Computing and Networking
Large-scale computation at PSI scientific achievements and future requirements
Energy Technology Data Exchange (ETDEWEB)
Adelmann, A.; Markushin, V
2008-11-15
Computational modelling and simulation are among the disciplines that have seen the most dramatic growth in capabilities in the 2Oth Century. Within the past two decades, scientific computing has become an important contributor to all scientific research programs. Computational modelling and simulation are particularly indispensable for solving research problems that are unsolvable by traditional theoretical and experimental approaches, hazardous to study, or time consuming or expensive to solve by traditional means. Many such research areas are found in PSI's research portfolio. Advances in computing technologies (including hardware and software) during the past decade have set the stage for a major step forward in modelling and simulation. We have now arrived at a situation where we have a number of otherwise unsolvable problems, where simulations are as complex as the systems under study. In 2008 the High-Performance Computing (HPC) community entered the petascale area with the heterogeneous Opteron/Cell machine, called Road Runner built by IBM for the Los Alamos National Laboratory. We are on the brink of a time where the availability of many hundreds of thousands of cores will open up new challenging possibilities in physics, algorithms (numerical mathematics) and computer science. However, to deliver on this promise, it is not enough to provide 'peak' performance in terms of peta-flops, the maximum theoretical speed a computer can attain. Most important, this must be translated into corresponding increase in the capabilities of scientific codes. This is a daunting problem that can only be solved by increasing investment in hardware, in the accompanying system software that enables the reliable use of high-end computers, in scientific competence i.e. the mathematical (parallel) algorithms that are the basis of the codes, and education. In the case of Switzerland, the white paper 'Swiss National Strategic Plan for High Performance Computing
Large Scale Document Inversion using a Multi-threaded Computing System.
Jung, Sungbo; Chang, Dar-Jen; Park, Juw Won
2017-06-01
Current microprocessor architecture is moving towards multi-core/multi-threaded systems. This trend has led to a surge of interest in using multi-threaded computing devices, such as the Graphics Processing Unit (GPU), for general purpose computing. We can utilize the GPU in computation as a massive parallel coprocessor because the GPU consists of multiple cores. The GPU is also an affordable, attractive, and user-programmable commodity. Nowadays a lot of information has been flooded into the digital domain around the world. Huge volume of data, such as digital libraries, social networking services, e-commerce product data, and reviews, etc., is produced or collected every moment with dramatic growth in size. Although the inverted index is a useful data structure that can be used for full text searches or document retrieval, a large number of documents will require a tremendous amount of time to create the index. The performance of document inversion can be improved by multi-thread or multi-core GPU. Our approach is to implement a linear-time, hash-based, single program multiple data (SPMD), document inversion algorithm on the NVIDIA GPU/CUDA programming platform utilizing the huge computational power of the GPU, to develop high performance solutions for document indexing. Our proposed parallel document inversion system shows 2-3 times faster performance than a sequential system on two different test datasets from PubMed abstract and e-commerce product reviews. •Information systems➝Information retrieval • Computing methodologies➝Massively parallel and high-performance simulations.
Random number generators for large-scale parallel Monte Carlo simulations on FPGA
Lin, Y.; Wang, F.; Liu, B.
2018-05-01
Through parallelization, field programmable gate array (FPGA) can achieve unprecedented speeds in large-scale parallel Monte Carlo (LPMC) simulations. FPGA presents both new constraints and new opportunities for the implementations of random number generators (RNGs), which are key elements of any Monte Carlo (MC) simulation system. Using empirical and application based tests, this study evaluates all of the four RNGs used in previous FPGA based MC studies and newly proposed FPGA implementations for two well-known high-quality RNGs that are suitable for LPMC studies on FPGA. One of the newly proposed FPGA implementations: a parallel version of additive lagged Fibonacci generator (Parallel ALFG) is found to be the best among the evaluated RNGs in fulfilling the needs of LPMC simulations on FPGA.
Concepts and Plans towards fast large scale Monte Carlo production for the ATLAS Experiment
Chapman, J; Duehrssen, M; Elsing, M; Froidevaux, D; Harrington, R; Jansky, R; Langenberg, R; Mandrysch, R; Marshall, Z; Ritsch, E; Salzburger, A
2014-01-01
The huge success of the physics program of the ATLAS experiment at the Large Hadron Collider (LHC) during run I relies upon a great number of simulated Monte Carlo events. This Monte Carlo production takes the biggest part of the computing resources being in use by ATLAS as of now. In this document we describe the plans to overcome the computing resource limitations for large scale Monte Carlo production in the ATLAS Experiment for run II, and beyond. A number of fast detector simulation, digitization and reconstruction techniques and are being discussed, based upon a new flexible detector simulation framework. To optimally benefit from these developments, a redesigned ATLAS MC production chain is presented at the end of this document.
Use of a large-scale rainfall simulator reveals novel insights into stemflow generation
Levia, D. F., Jr.; Iida, S. I.; Nanko, K.; Sun, X.; Shinohara, Y.; Sakai, N.
2017-12-01
Detailed knowledge of stemflow generation and its effects on both hydrological and biogoechemical cycling is important to achieve a holistic understanding of forest ecosystems. Field studies and a smaller set of experiments performed under laboratory conditions have increased our process-based knowledge of stemflow production. Building upon these earlier works, a large-scale rainfall simulator was employed to deepen our understanding of stemflow generation processes. The use of the large-scale rainfall simulator provides a unique opportunity to examine a range of rainfall intensities under constant conditions that are difficult under natural conditions due to the variable nature of rainfall intensities in the field. Stemflow generation and production was examined for three species- Cryptomeria japonica D. Don (Japanese cedar), Chamaecyparis obtusa (Siebold & Zucc.) Endl. (Japanese cypress), Zelkova serrata Thunb. (Japanese zelkova)- under both leafed and leafless conditions at several different rainfall intensities (15, 20, 30, 40, 50, and 100 mm h-1) using a large-scale rainfall simulator in National Research Institute for Earth Science and Disaster Resilience (Tsukuba, Japan). Stemflow production and rates and funneling ratios were examined in relation to both rainfall intensity and canopy structure. Preliminary results indicate a dynamic and complex response of the funneling ratios of individual trees to different rainfall intensities among the species examined. This is partly the result of different canopy structures, hydrophobicity of vegetative surfaces, and differential wet-up processes across species and rainfall intensities. This presentation delves into these differences and attempts to distill them into generalizable patterns, which can advance our theories of stemflow generation processes and ultimately permit better stewardship of forest resources. ________________ Funding note: This research was supported by JSPS Invitation Fellowship for Research in
Cotes-Ruiz, Iván Tomás; Prado, Rocío P; García-Galán, Sebastián; Muñoz-Expósito, José Enrique; Ruiz-Reyes, Nicolás
2017-01-01
Nowadays, the growing computational capabilities of Cloud systems rely on the reduction of the consumed power of their data centers to make them sustainable and economically profitable. The efficient management of computing resources is at the heart of any energy-aware data center and of special relevance is the adaptation of its performance to workload. Intensive computing applications in diverse areas of science generate complex workload called workflows, whose successful management in terms of energy saving is still at its beginning. WorkflowSim is currently one of the most advanced simulators for research on workflows processing, offering advanced features such as task clustering and failure policies. In this work, an expected power-aware extension of WorkflowSim is presented. This new tool integrates a power model based on a computing-plus-communication design to allow the optimization of new management strategies in energy saving considering computing, reconfiguration and networks costs as well as quality of service, and it incorporates the preeminent strategy for on host energy saving: Dynamic Voltage Frequency Scaling (DVFS). The simulator is designed to be consistent in different real scenarios and to include a wide repertory of DVFS governors. Results showing the validity of the simulator in terms of resources utilization, frequency and voltage scaling, power, energy and time saving are presented. Also, results achieved by the intra-host DVFS strategy with different governors are compared to those of the data center using a recent and successful DVFS-based inter-host scheduling strategy as overlapped mechanism to the DVFS intra-host technique.
Directory of Open Access Journals (Sweden)
Iván Tomás Cotes-Ruiz
Full Text Available Nowadays, the growing computational capabilities of Cloud systems rely on the reduction of the consumed power of their data centers to make them sustainable and economically profitable. The efficient management of computing resources is at the heart of any energy-aware data center and of special relevance is the adaptation of its performance to workload. Intensive computing applications in diverse areas of science generate complex workload called workflows, whose successful management in terms of energy saving is still at its beginning. WorkflowSim is currently one of the most advanced simulators for research on workflows processing, offering advanced features such as task clustering and failure policies. In this work, an expected power-aware extension of WorkflowSim is presented. This new tool integrates a power model based on a computing-plus-communication design to allow the optimization of new management strategies in energy saving considering computing, reconfiguration and networks costs as well as quality of service, and it incorporates the preeminent strategy for on host energy saving: Dynamic Voltage Frequency Scaling (DVFS. The simulator is designed to be consistent in different real scenarios and to include a wide repertory of DVFS governors. Results showing the validity of the simulator in terms of resources utilization, frequency and voltage scaling, power, energy and time saving are presented. Also, results achieved by the intra-host DVFS strategy with different governors are compared to those of the data center using a recent and successful DVFS-based inter-host scheduling strategy as overlapped mechanism to the DVFS intra-host technique.
What do we want from computer simulation of SIMS using clusters?
International Nuclear Information System (INIS)
Webb, R.P.
2008-01-01
Computer simulation of energetic cluster interactions with surfaces has provided much needed insight into some of the complex processes which occur and are responsible for the desirable as well as undesirable effects which make the use of clusters in SIMS both useful and challenging. Simulations have shown how cluster impacts can cause meso-scale motion of the target material which can result in the relatively gentle up-lift of large intact molecules adsorbed on the surface in contrast to the behaviour of single atom impacts which tend to create discrete motion in the surface often ejecting fragments of adsorbed molecules instead. With the insight provided from simulations experimentalists can then improve their equipment to best maximise the desired effects. The past 40 years has seen great progress in simulation techniques and computer equipment. 40 years ago simulations were performed on simple atomic systems of around 300 atoms employing only simple pair-wise interaction potentials to times of several hundred femtoseconds. Currently simulations can be performed on large organic materials employing many body potentials for millions of atoms for times of many picoseconds. These simulations, however, can take several months of computation time. Even with the degree of realism introduced with these long time simulations they are still not perfect are often not capable of being used in a completely predictive way. Computer simulation is reaching a position where by any more effort to increase its realism will make it completely intractable to solution in a reasonable time frame and yet there is an increasing demand from experimentalists for something that can help in a predictive way to help in experiment design and interpretation. This paper will discuss the problems of computer simulation and what might be possible to achieve in the short term, what is unlikely ever to be possible without a major new break through and how we might exploit the meso-scale effects in
Fires in large scale ventilation systems
International Nuclear Information System (INIS)
Gregory, W.S.; Martin, R.A.; White, B.W.; Nichols, B.D.; Smith, P.R.; Leslie, I.H.; Fenton, D.L.; Gunaji, M.V.; Blythe, J.P.
1991-01-01
This paper summarizes the experience gained simulating fires in large scale ventilation systems patterned after ventilation systems found in nuclear fuel cycle facilities. The series of experiments discussed included: (1) combustion aerosol loading of 0.61x0.61 m HEPA filters with the combustion products of two organic fuels, polystyrene and polymethylemethacrylate; (2) gas dynamic and heat transport through a large scale ventilation system consisting of a 0.61x0.61 m duct 90 m in length, with dampers, HEPA filters, blowers, etc.; (3) gas dynamic and simultaneous transport of heat and solid particulate (consisting of glass beads with a mean aerodynamic diameter of 10μ) through the large scale ventilation system; and (4) the transport of heat and soot, generated by kerosene pool fires, through the large scale ventilation system. The FIRAC computer code, designed to predict fire-induced transients in nuclear fuel cycle facility ventilation systems, was used to predict the results of experiments (2) through (4). In general, the results of the predictions were satisfactory. The code predictions for the gas dynamics, heat transport, and particulate transport and deposition were within 10% of the experimentally measured values. However, the code was less successful in predicting the amount of soot generation from kerosene pool fires, probably due to the fire module of the code being a one-dimensional zone model. The experiments revealed a complicated three-dimensional combustion pattern within the fire room of the ventilation system. Further refinement of the fire module within FIRAC is needed. (orig.)
Energy transfers in large-scale and small-scale dynamos
Samtaney, Ravi; Kumar, Rohit; Verma, Mahendra
2015-11-01
We present the energy transfers, mainly energy fluxes and shell-to-shell energy transfers in small-scale dynamo (SSD) and large-scale dynamo (LSD) using numerical simulations of MHD turbulence for Pm = 20 (SSD) and for Pm = 0.2 on 10243 grid. For SSD, we demonstrate that the magnetic energy growth is caused by nonlocal energy transfers from the large-scale or forcing-scale velocity field to small-scale magnetic field. The peak of these energy transfers move towards lower wavenumbers as dynamo evolves, which is the reason for the growth of the magnetic fields at the large scales. The energy transfers U2U (velocity to velocity) and B2B (magnetic to magnetic) are forward and local. For LSD, we show that the magnetic energy growth takes place via energy transfers from large-scale velocity field to large-scale magnetic field. We observe forward U2U and B2B energy flux, similar to SSD.
Directory of Open Access Journals (Sweden)
G. Tang
2012-08-01
Full Text Available Satellite-based data, such as vegetation type and fractional vegetation cover, are widely used in hydrologic models to prescribe the vegetation state in a study region. Dynamic global vegetation models (DGVM simulate land surface hydrology. Incorporation of satellite-based data into a DGVM may enhance a model's ability to simulate land surface hydrology by reducing the task of model parameterization and providing distributed information on land characteristics. The objectives of this study are to (i modify a DGVM for simulating land surface water balances; (ii evaluate the modified model in simulating actual evapotranspiration (ET, soil moisture, and surface runoff at regional or watershed scales; and (iii gain insight into the ability of both the original and modified model to simulate large spatial scale land surface hydrology. To achieve these objectives, we introduce the "LPJ-hydrology" (LH model which incorporates satellite-based data into the Lund-Potsdam-Jena (LPJ DGVM. To evaluate the model we ran LH using historical (1981–2006 climate data and satellite-based land covers at 2.5 arc-min grid cells for the conterminous US and for the entire world using coarser climate and land cover data. We evaluated the simulated ET, soil moisture, and surface runoff using a set of observed or simulated data at different spatial scales. Our results demonstrate that spatial patterns of LH-simulated annual ET and surface runoff are in accordance with previously published data for the US; LH-modeled monthly stream flow for 12 major rivers in the US was consistent with observed values respectively during the years 1981–2006 (R^{2} > 0.46, p < 0.01; Nash-Sutcliffe Coefficient > 0.52. The modeled mean annual discharges for 10 major rivers worldwide also agreed well (differences < 15% with observed values for these rivers. Compared to a degree-day method for snowmelt computation, the addition of the solar radiation effect on snowmelt
Representative elements: A step to large-scale fracture system simulation
International Nuclear Information System (INIS)
Clemo, T.M.
1987-01-01
Large-scale simulation of flow and transport in fractured media requires the development of a technique to represent the effect of a large number of fractures. Representative elements are used as a tool to model a subset of a fracture system as a single distributed entity. Representative elements are part of a modeling concept called dual permeability. Dual permeability modeling combines discrete fracture simulation of the most important fractures with the distributed modeling of the less important fracture of a fracture system. This study investigates the use of stochastic analysis to determine properties of representative elements. Given an assumption of fully developed laminar flow, the net fracture conductivities and hence flow velocities can be determined from descriptive statistics of fracture spacing, orientation, aperture, and extent. The distribution of physical characteristics about their mean leads to a distribution of the associated conductivities. The variance of hydraulic conductivity induces dispersion into the transport process. Simple fracture systems are treated to demonstrate the usefulness of stochastic analysis. Explicit equations for conductivity of an element are developed and the dispersion characteristics are shown. Explicit formulation of the hydraulic conductivity and transport dispersion reveals the dependence of these important characteristics on the parameters used to describe the fracture system. Understanding these dependencies will help to focus efforts to identify the characteristics of fracture systems. Simulations of stochastically generated fracture sets do not provide this explicit functional dependence on the fracture system parameters. 12 refs., 6 figs
Aggregated Representation of Distribution Networks for Large-Scale Transmission Network Simulations
DEFF Research Database (Denmark)
Göksu, Ömer; Altin, Müfit; Sørensen, Poul Ejnar
2014-01-01
As a common practice of large-scale transmission network analysis the distribution networks have been represented as aggregated loads. However, with increasing share of distributed generation, especially wind and solar power, in the distribution networks, it became necessary to include...... the distributed generation within those analysis. In this paper a practical methodology to obtain aggregated behaviour of the distributed generation is proposed. The methodology, which is based on the use of the IEC standard wind turbine models, is applied on a benchmark distribution network via simulations....
Cloud-enabled large-scale land surface model simulations with the NASA Land Information System
Duffy, D.; Vaughan, G.; Clark, M. P.; Peters-Lidard, C. D.; Nijssen, B.; Nearing, G. S.; Rheingrover, S.; Kumar, S.; Geiger, J. V.
2017-12-01
Developed by the Hydrological Sciences Laboratory at NASA Goddard Space Flight Center (GSFC), the Land Information System (LIS) is a high-performance software framework for terrestrial hydrology modeling and data assimilation. LIS provides the ability to integrate satellite and ground-based observational products and advanced modeling algorithms to extract land surface states and fluxes. Through a partnership with the National Center for Atmospheric Research (NCAR) and the University of Washington, the LIS model is currently being extended to include the Structure for Unifying Multiple Modeling Alternatives (SUMMA). With the addition of SUMMA in LIS, meaningful simulations containing a large multi-model ensemble will be enabled and can provide advanced probabilistic continental-domain modeling capabilities at spatial scales relevant for water managers. The resulting LIS/SUMMA application framework is difficult for non-experts to install due to the large amount of dependencies on specific versions of operating systems, libraries, and compilers. This has created a significant barrier to entry for domain scientists that are interested in using the software on their own systems or in the cloud. In addition, the requirement to support multiple run time environments across the LIS community has created a significant burden on the NASA team. To overcome these challenges, LIS/SUMMA has been deployed using Linux containers, which allows for an entire software package along with all dependences to be installed within a working runtime environment, and Kubernetes, which orchestrates the deployment of a cluster of containers. Within a cloud environment, users can now easily create a cluster of virtual machines and run large-scale LIS/SUMMA simulations. Installations that have taken weeks and months can now be performed in minutes of time. This presentation will discuss the steps required to create a cloud-enabled large-scale simulation, present examples of its use, and
Parallel Earthquake Simulations on Large-Scale Multicore Supercomputers
Wu, Xingfu; Duan, Benchun; Taylor, Valerie
2011-01-01
, such as California and Japan, scientists have been using numerical simulations to study earthquake rupture propagation along faults and seismic wave propagation in the surrounding media on ever-advancing modern computers over past several decades. In particular
Xu, Jincheng; Liu, Wei; Wang, Jin; Liu, Linong; Zhang, Jianfeng
2018-02-01
De-absorption pre-stack time migration (QPSTM) compensates for the absorption and dispersion of seismic waves by introducing an effective Q parameter, thereby making it an effective tool for 3D, high-resolution imaging of seismic data. Although the optimal aperture obtained via stationary-phase migration reduces the computational cost of 3D QPSTM and yields 3D stationary-phase QPSTM, the associated computational efficiency is still the main problem in the processing of 3D, high-resolution images for real large-scale seismic data. In the current paper, we proposed a division method for large-scale, 3D seismic data to optimize the performance of stationary-phase QPSTM on clusters of graphics processing units (GPU). Then, we designed an imaging point parallel strategy to achieve an optimal parallel computing performance. Afterward, we adopted an asynchronous double buffering scheme for multi-stream to perform the GPU/CPU parallel computing. Moreover, several key optimization strategies of computation and storage based on the compute unified device architecture (CUDA) were adopted to accelerate the 3D stationary-phase QPSTM algorithm. Compared with the initial GPU code, the implementation of the key optimization steps, including thread optimization, shared memory optimization, register optimization and special function units (SFU), greatly improved the efficiency. A numerical example employing real large-scale, 3D seismic data showed that our scheme is nearly 80 times faster than the CPU-QPSTM algorithm. Our GPU/CPU heterogeneous parallel computing framework significant reduces the computational cost and facilitates 3D high-resolution imaging for large-scale seismic data.
The Effect of Large Scale Salinity Gradient on Langmuir Turbulence
Fan, Y.; Jarosz, E.; Yu, Z.; Jensen, T.; Sullivan, P. P.; Liang, J.
2017-12-01
Langmuir circulation (LC) is believed to be one of the leading order causes of turbulent mixing in the upper ocean. It is important for momentum and heat exchange across the mixed layer (ML) and directly impact the dynamics and thermodynamics in the upper ocean and lower atmosphere including the vertical distributions of chemical, biological, optical, and acoustic properties. Based on Craik and Leibovich (1976) theory, large eddy simulation (LES) models have been developed to simulate LC in the upper ocean, yielding new insights that could not be obtained from field observations and turbulent closure models. Due its high computational cost, LES models are usually limited to small domain sizes and cannot resolve large-scale flows. Furthermore, most LES models used in the LC simulations use periodic boundary conditions in the horizontal direction, which assumes the physical properties (i.e. temperature and salinity) and expected flow patterns in the area of interest are of a periodically repeating nature so that the limited small LES domain is representative for the larger area. Using periodic boundary condition can significantly reduce computational effort in problems, and it is a good assumption for isotropic shear turbulence. However, LC is anisotropic (McWilliams et al 1997) and was observed to be modulated by crosswind tidal currents (Kukulka et al 2011). Using symmetrical domains, idealized LES studies also indicate LC could interact with oceanic fronts (Hamlington et al 2014) and standing internal waves (Chini and Leibovich, 2005). The present study expands our previous LES modeling investigations of Langmuir turbulence to the real ocean conditions with large scale environmental motion that features fresh water inflow into the study region. Large scale gradient forcing is introduced to the NCAR LES model through scale separation analysis. The model is applied to a field observation in the Gulf of Mexico in July, 2016 when the measurement site was impacted by
Integrated simulation of continuous-scale and discrete-scale radiative transfer in metal foams
Xia, Xin-Lin; Li, Yang; Sun, Chuang; Ai, Qing; Tan, He-Ping
2018-06-01
A novel integrated simulation of radiative transfer in metal foams is presented. It integrates the continuous-scale simulation with the direct discrete-scale simulation in a single computational domain. It relies on the coupling of the real discrete-scale foam geometry with the equivalent continuous-scale medium through a specially defined scale-coupled zone. This zone holds continuous but nonhomogeneous volumetric radiative properties. The scale-coupled approach is compared to the traditional continuous-scale approach using volumetric radiative properties in the equivalent participating medium and to the direct discrete-scale approach employing the real 3D foam geometry obtained by computed tomography. All the analyses are based on geometrical optics. The Monte Carlo ray-tracing procedure is used for computations of the absorbed radiative fluxes and the apparent radiative behaviors of metal foams. The results obtained by the three approaches are in tenable agreement. The scale-coupled approach is fully validated in calculating the apparent radiative behaviors of metal foams composed of very absorbing to very reflective struts and that composed of very rough to very smooth struts. This new approach leads to a reduction in computational time by approximately one order of magnitude compared to the direct discrete-scale approach. Meanwhile, it can offer information on the local geometry-dependent feature and at the same time the equivalent feature in an integrated simulation. This new approach is promising to combine the advantages of the continuous-scale approach (rapid calculations) and direct discrete-scale approach (accurate prediction of local radiative quantities).
Final Report: Large-Scale Optimization for Bayesian Inference in Complex Systems
Energy Technology Data Exchange (ETDEWEB)
Ghattas, Omar [The University of Texas at Austin
2013-10-15
The SAGUARO (Scalable Algorithms for Groundwater Uncertainty Analysis and Robust Optimiza- tion) Project focuses on the development of scalable numerical algorithms for large-scale Bayesian inversion in complex systems that capitalize on advances in large-scale simulation-based optimiza- tion and inversion methods. Our research is directed in three complementary areas: efficient approximations of the Hessian operator, reductions in complexity of forward simulations via stochastic spectral approximations and model reduction, and employing large-scale optimization concepts to accelerate sampling. Our efforts are integrated in the context of a challenging testbed problem that considers subsurface reacting flow and transport. The MIT component of the SAGUARO Project addresses the intractability of conventional sampling methods for large-scale statistical inverse problems by devising reduced-order models that are faithful to the full-order model over a wide range of parameter values; sampling then employs the reduced model rather than the full model, resulting in very large computational savings. Results indicate little effect on the computed posterior distribution. On the other hand, in the Texas-Georgia Tech component of the project, we retain the full-order model, but exploit inverse problem structure (adjoint-based gradients and partial Hessian information of the parameter-to- observation map) to implicitly extract lower dimensional information on the posterior distribution; this greatly speeds up sampling methods, so that fewer sampling points are needed. We can think of these two approaches as "reduce then sample" and "sample then reduce." In fact, these two approaches are complementary, and can be used in conjunction with each other. Moreover, they both exploit deterministic inverse problem structure, in the form of adjoint-based gradient and Hessian information of the underlying parameter-to-observation map, to achieve their speedups.
Matsui, H.; Buffett, B. A.
2017-12-01
The flow in the Earth's outer core is expected to have vast length scale from the geometry of the outer core to the thickness of the boundary layer. Because of the limitation of the spatial resolution in the numerical simulations, sub-grid scale (SGS) modeling is required to model the effects of the unresolved field on the large-scale fields. We model the effects of sub-grid scale flow and magnetic field using a dynamic scale similarity model. Four terms are introduced for the momentum flux, heat flux, Lorentz force and magnetic induction. The model was previously used in the convection-driven dynamo in a rotating plane layer and spherical shell using the Finite Element Methods. In the present study, we perform large eddy simulations (LES) using the dynamic scale similarity model. The scale similarity model is implement in Calypso, which is a numerical dynamo model using spherical harmonics expansion. To obtain the SGS terms, the spatial filtering in the horizontal directions is done by taking the convolution of a Gaussian filter expressed in terms of a spherical harmonic expansion, following Jekeli (1981). A Gaussian field is also applied in the radial direction. To verify the present model, we perform a fully resolved direct numerical simulation (DNS) with the truncation of the spherical harmonics L = 255 as a reference. And, we perform unresolved DNS and LES with SGS model on coarser resolution (L= 127, 84, and 63) using the same control parameter as the resolved DNS. We will discuss the verification results by comparison among these simulations and role of small scale fields to large scale fields through the role of the SGS terms in LES.
Torner, Benjamin; Konnigk, Lucas; Hallier, Sebastian; Kumar, Jitendra; Witte, Matthias; Wurm, Frank-Hendrik
2018-06-01
Numerical flow analysis (computational fluid dynamics) in combination with the prediction of blood damage is an important procedure to investigate the hemocompatibility of a blood pump, since blood trauma due to shear stresses remains a problem in these devices. Today, the numerical damage prediction is conducted using unsteady Reynolds-averaged Navier-Stokes simulations. Investigations with large eddy simulations are rarely being performed for blood pumps. Hence, the aim of the study is to examine the viscous shear stresses of a large eddy simulation in a blood pump and compare the results with an unsteady Reynolds-averaged Navier-Stokes simulation. The simulations were carried out at two operation points of a blood pump. The flow was simulated on a 100M element mesh for the large eddy simulation and a 20M element mesh for the unsteady Reynolds-averaged Navier-Stokes simulation. As a first step, the large eddy simulation was verified by analyzing internal dissipative losses within the pump. Then, the pump characteristics and mean and turbulent viscous shear stresses were compared between the two simulation methods. The verification showed that the large eddy simulation is able to reproduce the significant portion of dissipative losses, which is a global indication that the equivalent viscous shear stresses are adequately resolved. The comparison with the unsteady Reynolds-averaged Navier-Stokes simulation revealed that the hydraulic parameters were in agreement, but differences for the shear stresses were found. The results show the potential of the large eddy simulation as a high-quality comparative case to check the suitability of a chosen Reynolds-averaged Navier-Stokes setup and turbulence model. Furthermore, the results lead to suggest that large eddy simulations are superior to unsteady Reynolds-averaged Navier-Stokes simulations when instantaneous stresses are applied for the blood damage prediction.
Large Scale Document Inversion using a Multi-threaded Computing System
Jung, Sungbo; Chang, Dar-Jen; Park, Juw Won
2018-01-01
Current microprocessor architecture is moving towards multi-core/multi-threaded systems. This trend has led to a surge of interest in using multi-threaded computing devices, such as the Graphics Processing Unit (GPU), for general purpose computing. We can utilize the GPU in computation as a massive parallel coprocessor because the GPU consists of multiple cores. The GPU is also an affordable, attractive, and user-programmable commodity. Nowadays a lot of information has been flooded into the digital domain around the world. Huge volume of data, such as digital libraries, social networking services, e-commerce product data, and reviews, etc., is produced or collected every moment with dramatic growth in size. Although the inverted index is a useful data structure that can be used for full text searches or document retrieval, a large number of documents will require a tremendous amount of time to create the index. The performance of document inversion can be improved by multi-thread or multi-core GPU. Our approach is to implement a linear-time, hash-based, single program multiple data (SPMD), document inversion algorithm on the NVIDIA GPU/CUDA programming platform utilizing the huge computational power of the GPU, to develop high performance solutions for document indexing. Our proposed parallel document inversion system shows 2-3 times faster performance than a sequential system on two different test datasets from PubMed abstract and e-commerce product reviews. CCS Concepts •Information systems➝Information retrieval • Computing methodologies➝Massively parallel and high-performance simulations.
Large Scale Computing and Storage Requirements for Nuclear Physics Research
Energy Technology Data Exchange (ETDEWEB)
Gerber, Richard A.; Wasserman, Harvey J.
2012-03-02
IThe National Energy Research Scientific Computing Center (NERSC) is the primary computing center for the DOE Office of Science, serving approximately 4,000 users and hosting some 550 projects that involve nearly 700 codes for a wide variety of scientific disciplines. In addition to large-scale computing resources NERSC provides critical staff support and expertise to help scientists make the most efficient use of these resources to advance the scientific mission of the Office of Science. In May 2011, NERSC, DOE’s Office of Advanced Scientific Computing Research (ASCR) and DOE’s Office of Nuclear Physics (NP) held a workshop to characterize HPC requirements for NP research over the next three to five years. The effort is part of NERSC’s continuing involvement in anticipating future user needs and deploying necessary resources to meet these demands. The workshop revealed several key requirements, in addition to achieving its goal of characterizing NP computing. The key requirements include: 1. Larger allocations of computational resources at NERSC; 2. Visualization and analytics support; and 3. Support at NERSC for the unique needs of experimental nuclear physicists. This report expands upon these key points and adds others. The results are based upon representative samples, called “case studies,” of the needs of science teams within NP. The case studies were prepared by NP workshop participants and contain a summary of science goals, methods of solution, current and future computing requirements, and special software and support needs. Participants were also asked to describe their strategy for computing in the highly parallel, “multi-core” environment that is expected to dominate HPC architectures over the next few years. The report also includes a section with NERSC responses to the workshop findings. NERSC has many initiatives already underway that address key workshop findings and all of the action items are aligned with NERSC strategic plans.
Large-scale matrix-handling subroutines 'ATLAS'
International Nuclear Information System (INIS)
Tsunematsu, Toshihide; Takeda, Tatsuoki; Fujita, Keiichi; Matsuura, Toshihiko; Tahara, Nobuo
1978-03-01
Subroutine package ''ATLAS'' has been developed for handling large-scale matrices. The package is composed of four kinds of subroutines, i.e., basic arithmetic routines, routines for solving linear simultaneous equations and for solving general eigenvalue problems and utility routines. The subroutines are useful in large scale plasma-fluid simulations. (auth.)
Large scale and big data processing and management
Sakr, Sherif
2014-01-01
Large Scale and Big Data: Processing and Management provides readers with a central source of reference on the data management techniques currently available for large-scale data processing. Presenting chapters written by leading researchers, academics, and practitioners, it addresses the fundamental challenges associated with Big Data processing tools and techniques across a range of computing environments.The book begins by discussing the basic concepts and tools of large-scale Big Data processing and cloud computing. It also provides an overview of different programming models and cloud-bas
Exploiting large-scale correlations to detect continuous gravitational waves.
Pletsch, Holger J; Allen, Bruce
2009-10-30
Fully coherent searches (over realistic ranges of parameter space and year-long observation times) for unknown sources of continuous gravitational waves are computationally prohibitive. Less expensive hierarchical searches divide the data into shorter segments which are analyzed coherently, then detection statistics from different segments are combined incoherently. The novel method presented here solves the long-standing problem of how best to do the incoherent combination. The optimal solution exploits large-scale parameter-space correlations in the coherent detection statistic. Application to simulated data shows dramatic sensitivity improvements compared with previously available (ad hoc) methods, increasing the spatial volume probed by more than 2 orders of magnitude at lower computational cost.
Khosronejad, Ali; Sotiropoulos, Fotis; Stony Brook University Team
2016-11-01
We present a coupled flow and morphodynamic simulations of extreme flooding in 3 km long and 300 m wide reach of the Mississippi River in Minnesota, which includes three islands and hydraulic structures. We employ the large-eddy simulation (LES) and bed-morphodynamic modules of the VFS-Geophysics model to investigate the flow and bed evolution of the river during a 500 year flood. The coupling of the two modules is carried out via a fluid-structure interaction approach using a nested domain approach to enhance the resolution of bridge scour predictions. The geometrical data of the river, islands and structures are obtained from LiDAR, sub-aqueous sonar and in-situ surveying to construct a digital map of the river bathymetry. Our simulation results for the bed evolution of the river reveal complex sediment dynamics near the hydraulic structures. The numerically captured scour depth near some of the structures reach a maximum of about 10 m. The data-driven simulation strategy we present in this work exemplifies a practical simulation-based-engineering-approach to investigate the resilience of infrastructures to extreme flood events in intricate field-scale riverine systems. This work was funded by a Grant from Minnesota Dept. of Transportation.
Large scale molecular simulations of nanotoxicity.
Jimenez-Cruz, Camilo A; Kang, Seung-gu; Zhou, Ruhong
2014-01-01
The widespread use of nanomaterials in biomedical applications has been accompanied by an increasing interest in understanding their interactions with tissues, cells, and biomolecules, and in particular, on how they might affect the integrity of cell membranes and proteins. In this mini-review, we present a summary of some of the recent studies on this important subject, especially from the point of view of large scale molecular simulations. The carbon-based nanomaterials and noble metal nanoparticles are the main focus, with additional discussions on quantum dots and other nanoparticles as well. The driving forces for adsorption of fullerenes, carbon nanotubes, and graphene nanosheets onto proteins or cell membranes are found to be mainly hydrophobic interactions and the so-called π-π stacking (between aromatic rings), while for the noble metal nanoparticles the long-range electrostatic interactions play a bigger role. More interestingly, there are also growing evidences showing that nanotoxicity can have implications in de novo design of nanomedicine. For example, the endohedral metallofullerenol Gd@C₈₂(OH)₂₂ is shown to inhibit tumor growth and metastasis by inhibiting enzyme MMP-9, and graphene is illustrated to disrupt bacteria cell membranes by insertion/cutting as well as destructive extraction of lipid molecules. These recent findings have provided a better understanding of nanotoxicity at the molecular level and also suggested therapeutic potential by using the cytotoxicity of nanoparticles against cancer or bacteria cells. © 2014 Wiley Periodicals, Inc.
Large-scale Validation of AMIP II Land-surface Simulations: Preliminary Results for Ten Models
Energy Technology Data Exchange (ETDEWEB)
Phillips, T J; Henderson-Sellers, A; Irannejad, P; McGuffie, K; Zhang, H
2005-12-01
This report summarizes initial findings of a large-scale validation of the land-surface simulations of ten atmospheric general circulation models that are entries in phase II of the Atmospheric Model Intercomparison Project (AMIP II). This validation is conducted by AMIP Diagnostic Subproject 12 on Land-surface Processes and Parameterizations, which is focusing on putative relationships between the continental climate simulations and the associated models' land-surface schemes. The selected models typify the diversity of representations of land-surface climate that are currently implemented by the global modeling community. The current dearth of global-scale terrestrial observations makes exacting validation of AMIP II continental simulations impractical. Thus, selected land-surface processes of the models are compared with several alternative validation data sets, which include merged in-situ/satellite products, climate reanalyses, and off-line simulations of land-surface schemes that are driven by observed forcings. The aggregated spatio-temporal differences between each simulated process and a chosen reference data set then are quantified by means of root-mean-square error statistics; the differences among alternative validation data sets are similarly quantified as an estimate of the current observational uncertainty in the selected land-surface process. Examples of these metrics are displayed for land-surface air temperature, precipitation, and the latent and sensible heat fluxes. It is found that the simulations of surface air temperature, when aggregated over all land and seasons, agree most closely with the chosen reference data, while the simulations of precipitation agree least. In the latter case, there also is considerable inter-model scatter in the error statistics, with the reanalyses estimates of precipitation resembling the AMIP II simulations more than to the chosen reference data. In aggregate, the simulations of land-surface latent and
Phylogenetic distribution of large-scale genome patchiness
Directory of Open Access Journals (Sweden)
Hackenberg Michael
2008-04-01
Full Text Available Abstract Background The phylogenetic distribution of large-scale genome structure (i.e. mosaic compositional patchiness has been explored mainly by analytical ultracentrifugation of bulk DNA. However, with the availability of large, good-quality chromosome sequences, and the recently developed computational methods to directly analyze patchiness on the genome sequence, an evolutionary comparative analysis can be carried out at the sequence level. Results The local variations in the scaling exponent of the Detrended Fluctuation Analysis are used here to analyze large-scale genome structure and directly uncover the characteristic scales present in genome sequences. Furthermore, through shuffling experiments of selected genome regions, computationally-identified, isochore-like regions were identified as the biological source for the uncovered large-scale genome structure. The phylogenetic distribution of short- and large-scale patchiness was determined in the best-sequenced genome assemblies from eleven eukaryotic genomes: mammals (Homo sapiens, Pan troglodytes, Mus musculus, Rattus norvegicus, and Canis familiaris, birds (Gallus gallus, fishes (Danio rerio, invertebrates (Drosophila melanogaster and Caenorhabditis elegans, plants (Arabidopsis thaliana and yeasts (Saccharomyces cerevisiae. We found large-scale patchiness of genome structure, associated with in silico determined, isochore-like regions, throughout this wide phylogenetic range. Conclusion Large-scale genome structure is detected by directly analyzing DNA sequences in a wide range of eukaryotic chromosome sequences, from human to yeast. In all these genomes, large-scale patchiness can be associated with the isochore-like regions, as directly detected in silico at the sequence level.
Structure and dynamics of amorphous polymers: computer simulations compared to experiment and theory
International Nuclear Information System (INIS)
Paul, Wolfgang; Smith, Grant D
2004-01-01
This contribution considers recent developments in the computer modelling of amorphous polymeric materials. Progress in our capabilities to build models for the computer simulation of polymers from the detailed atomistic scale up to coarse-grained mesoscopic models, together with the ever-improving performance of computers, have led to important insights from computer simulations into the structural and dynamic properties of amorphous polymers. Structurally, chain connectivity introduces a range of length scales from that of the chemical bond to the radius of gyration of the polymer chain covering 2-4 orders of magnitude. Dynamically, this range of length scales translates into an even larger range of time scales observable in relaxation processes in amorphous polymers ranging from about 10 -13 to 10 -3 s or even to 10 3 s when glass dynamics is concerned. There is currently no single simulation technique that is able to describe all these length and time scales efficiently. On large length and time scales basic topology and entropy become the governing properties and this fact can be exploited using computer simulations of coarse-grained polymer models to study universal aspects of the structure and dynamics of amorphous polymers. On the largest length and time scales chain connectivity is the dominating factor leading to the strong increase in longest relaxation times described within the reptation theory of polymer melt dynamics. Recently, many of the universal aspects of this behaviour have been further elucidated by computer simulations of coarse-grained polymer models. On short length scales the detailed chemistry and energetics of the polymer are important, and one has to be able to capture them correctly using chemically realistic modelling of specific polymers, even when the aim is to extract generic physical behaviour exhibited by the specific chemistry. Detailed studies of chemically realistic models highlight the central importance of torsional dynamics
Tonellot, Thierry
2017-02-27
A combination of both shallow and deepwater, plus islands and coral reefs, are some of the main features contributing to the complexity of subsalt seismic exploration in the Red Sea transition zone. These features often result in degrading effects on seismic images. State-of-the-art ocean bottom acquisition technologies are therefore required to record seismic data with optimal fold and offset, as well as advanced processing and imaging techniques. Numerical simulations of such complex seismic data can help improve acquisition design and also help in customizing, validating and benchmarking the processing and imaging workflows that will be applied on the field data. Subsequently, realistic simulation of wave propagation is a computationally intensive process requiring a realistic model and an efficient 3D wave equation solver. Large-scale computing resources are also required to meet turnaround time compatible with a production time frame. In this work, we present the numerical simulation of an ocean bottom seismic survey to be acquired in the Red Sea transition zone starting in summer 2016. The survey\\'s acquisition geometry comprises nearly 300,000 unique shot locations and 21,000 unique receiver locations, covering about 760 km2. Using well log measurements and legacy 2D seismic lines in this area, a 3D P-wave velocity model was built, with a maximum depth of 7 km. The model was sampled at 10 m in each direction, resulting in more than 5 billion cells. Wave propagation in this model was performed using a 3D finite difference solver in the time domain based on a staggered grid velocity-pressure formulation of acoustodynamics. To ensure that the resulting data could be generated sufficiently fast, the King Abdullah University of Science and Technology (KAUST) supercomputer Shaheen II Cray XC40 was used. A total of 21,000 three-component (pressure and vertical and horizontal velocity) common receiver gathers with a 50 Hz maximum frequency were computed in less
Tonellot, Thierry; Etienne, Vincent; Gashawbeza, Ewenet; Curiel, Emesto Sandoval; Khan, Azizur; Feki, Saber; Kortas, Samuel
2017-01-01
A combination of both shallow and deepwater, plus islands and coral reefs, are some of the main features contributing to the complexity of subsalt seismic exploration in the Red Sea transition zone. These features often result in degrading effects on seismic images. State-of-the-art ocean bottom acquisition technologies are therefore required to record seismic data with optimal fold and offset, as well as advanced processing and imaging techniques. Numerical simulations of such complex seismic data can help improve acquisition design and also help in customizing, validating and benchmarking the processing and imaging workflows that will be applied on the field data. Subsequently, realistic simulation of wave propagation is a computationally intensive process requiring a realistic model and an efficient 3D wave equation solver. Large-scale computing resources are also required to meet turnaround time compatible with a production time frame. In this work, we present the numerical simulation of an ocean bottom seismic survey to be acquired in the Red Sea transition zone starting in summer 2016. The survey's acquisition geometry comprises nearly 300,000 unique shot locations and 21,000 unique receiver locations, covering about 760 km2. Using well log measurements and legacy 2D seismic lines in this area, a 3D P-wave velocity model was built, with a maximum depth of 7 km. The model was sampled at 10 m in each direction, resulting in more than 5 billion cells. Wave propagation in this model was performed using a 3D finite difference solver in the time domain based on a staggered grid velocity-pressure formulation of acoustodynamics. To ensure that the resulting data could be generated sufficiently fast, the King Abdullah University of Science and Technology (KAUST) supercomputer Shaheen II Cray XC40 was used. A total of 21,000 three-component (pressure and vertical and horizontal velocity) common receiver gathers with a 50 Hz maximum frequency were computed in less than
Large scale CMB anomalies from thawing cosmic strings
Energy Technology Data Exchange (ETDEWEB)
Ringeval, Christophe [Centre for Cosmology, Particle Physics and Phenomenology, Institute of Mathematics and Physics, Louvain University, 2 Chemin du Cyclotron, 1348 Louvain-la-Neuve (Belgium); Yamauchi, Daisuke; Yokoyama, Jun' ichi [Research Center for the Early Universe (RESCEU), Graduate School of Science, The University of Tokyo, Tokyo 113-0033 (Japan); Bouchet, François R., E-mail: christophe.ringeval@uclouvain.be, E-mail: yamauchi@resceu.s.u-tokyo.ac.jp, E-mail: yokoyama@resceu.s.u-tokyo.ac.jp, E-mail: bouchet@iap.fr [Institut d' Astrophysique de Paris, UMR 7095-CNRS, Université Pierre et Marie Curie, 98bis boulevard Arago, 75014 Paris (France)
2016-02-01
Cosmic strings formed during inflation are expected to be either diluted over super-Hubble distances, i.e., invisible today, or to have crossed our past light cone very recently. We discuss the latter situation in which a few strings imprint their signature in the Cosmic Microwave Background (CMB) Anisotropies after recombination. Being almost frozen in the Hubble flow, these strings are quasi static and evade almost all of the previously derived constraints on their tension while being able to source large scale anisotropies in the CMB sky. Using a local variance estimator on thousand of numerically simulated Nambu-Goto all sky maps, we compute the expected signal and show that it can mimic a dipole modulation at large angular scales while being negligible at small angles. Interestingly, such a scenario generically produces one cold spot from the thawing of a cosmic string loop. Mixed with anisotropies of inflationary origin, we find that a few strings of tension GU = O(1) × 10{sup −6} match the amplitude of the dipole modulation reported in the Planck satellite measurements and could be at the origin of other large scale anomalies.
Directory of Open Access Journals (Sweden)
Schatten, Markus
2016-10-01
Full Text Available Large-scale agent based simulation of social networks is described in the context of the migrant crisis in Syria and the EU as well as massively multi-player on-line role playing games (MMORPG. The recipeWorld system by Terna and Fontana is proposed as a possible solution to simulating large-scale social networks. The initial system has been re-implemented using the Smart Python multi-Agent Development Environment (SPADE and Pyinteractive was used for visualization. We present initial models of simulation that we plan to develop further in future studies. Thus this paper is research in progress that will hopefully establish a novel agent-based modelling system in the context of the ModelMMORPG project.
Large Scale Computing and Storage Requirements for High Energy Physics
International Nuclear Information System (INIS)
Gerber, Richard A.; Wasserman, Harvey
2010-01-01
The National Energy Research Scientific Computing Center (NERSC) is the leading scientific computing facility for the Department of Energy's Office of Science, providing high-performance computing (HPC) resources to more than 3,000 researchers working on about 400 projects. NERSC provides large-scale computing resources and, crucially, the support and expertise needed for scientists to make effective use of them. In November 2009, NERSC, DOE's Office of Advanced Scientific Computing Research (ASCR), and DOE's Office of High Energy Physics (HEP) held a workshop to characterize the HPC resources needed at NERSC to support HEP research through the next three to five years. The effort is part of NERSC's legacy of anticipating users needs and deploying resources to meet those demands. The workshop revealed several key points, in addition to achieving its goal of collecting and characterizing computing requirements. The chief findings: (1) Science teams need access to a significant increase in computational resources to meet their research goals; (2) Research teams need to be able to read, write, transfer, store online, archive, analyze, and share huge volumes of data; (3) Science teams need guidance and support to implement their codes on future architectures; and (4) Projects need predictable, rapid turnaround of their computational jobs to meet mission-critical time constraints. This report expands upon these key points and includes others. It also presents a number of case studies as representative of the research conducted within HEP. Workshop participants were asked to codify their requirements in this case study format, summarizing their science goals, methods of solution, current and three-to-five year computing requirements, and software and support needs. Participants were also asked to describe their strategy for computing in the highly parallel, multi-core environment that is expected to dominate HPC architectures over the next few years. The report includes
Energy Technology Data Exchange (ETDEWEB)
Fijany, A. [Jet Propulsion Lab., Pasadena, CA (United States); Coley, T.R. [Virtual Chemistry, Inc., San Diego, CA (United States); Cagin, T.; Goddard, W.A. III [California Institute of Technology, Pasadena, CA (United States)
1997-12-31
Successful molecular dynamics (MD) simulation of large systems (> million atoms) for long times (> nanoseconds) requires the integration of constrained equations of motion (CEOM). Constraints are used to eliminate high frequency degrees of freedom (DOF) and to allow the use of rigid bodies. Solving the CEOM allows for larger integration time-steps and helps focus the simulation on the important collective dynamics of chemical, biological, and materials systems. We explore advances in multibody dynamics which have resulted in O(N) algorithms for propagating the CEOM. However, because of their strictly sequential nature, the computational time required by these algorithms does not scale down with increased numbers of processors. We then present the new constraint force algorithm for solving the CEOM and show that this algorithm is fully parallelizable, leading to a computational cost of O(N/P+IogP) for N DOF on P processors.
Acedo, L.; Villanueva-Oller, J.; Moraño, J. A.; Villanueva, R.-J.
2013-01-01
The Berkeley Open Infrastructure for Network Computing (BOINC) has become the standard open source solution for grid computing in the Internet. Volunteers use their computers to complete an small part of the task assigned by a dedicated server. We have developed a BOINC project called Neurona@Home whose objective is to simulate a cellular automata random network with, at least, one million neurons. We consider a cellular automata version of the integrate-and-fire model in which excitatory and inhibitory nodes can activate or deactivate neighbor nodes according to a set of probabilistic rules. Our aim is to determine the phase diagram of the model and its behaviour and to compare it with the electroencephalographic signals measured in real brains.
Parallel continuous simulated tempering and its applications in large-scale molecular simulations
Energy Technology Data Exchange (ETDEWEB)
Zang, Tianwu; Yu, Linglin; Zhang, Chong [Applied Physics Program and Department of Bioengineering, Rice University, Houston, Texas 77005 (United States); Ma, Jianpeng, E-mail: jpma@bcm.tmc.edu [Applied Physics Program and Department of Bioengineering, Rice University, Houston, Texas 77005 (United States); Verna and Marrs McLean Department of Biochemistry and Molecular Biology, Baylor College of Medicine, One Baylor Plaza, BCM-125, Houston, Texas 77030 (United States)
2014-07-28
In this paper, we introduce a parallel continuous simulated tempering (PCST) method for enhanced sampling in studying large complex systems. It mainly inherits the continuous simulated tempering (CST) method in our previous studies [C. Zhang and J. Ma, J. Chem. Phys. 130, 194112 (2009); C. Zhang and J. Ma, J. Chem. Phys. 132, 244101 (2010)], while adopts the spirit of parallel tempering (PT), or replica exchange method, by employing multiple copies with different temperature distributions. Differing from conventional PT methods, despite the large stride of total temperature range, the PCST method requires very few copies of simulations, typically 2–3 copies, yet it is still capable of maintaining a high rate of exchange between neighboring copies. Furthermore, in PCST method, the size of the system does not dramatically affect the number of copy needed because the exchange rate is independent of total potential energy, thus providing an enormous advantage over conventional PT methods in studying very large systems. The sampling efficiency of PCST was tested in two-dimensional Ising model, Lennard-Jones liquid and all-atom folding simulation of a small globular protein trp-cage in explicit solvent. The results demonstrate that the PCST method significantly improves sampling efficiency compared with other methods and it is particularly effective in simulating systems with long relaxation time or correlation time. We expect the PCST method to be a good alternative to parallel tempering methods in simulating large systems such as phase transition and dynamics of macromolecules in explicit solvent.
International Nuclear Information System (INIS)
Fonseca, R A; Vieira, J; Silva, L O; Fiuza, F; Davidson, A; Tsung, F S; Mori, W B
2013-01-01
A new generation of laser wakefield accelerators (LWFA), supported by the extreme accelerating fields generated in the interaction of PW-Class lasers and underdense targets, promises the production of high quality electron beams in short distances for multiple applications. Achieving this goal will rely heavily on numerical modelling to further understand the underlying physics and identify optimal regimes, but large scale modelling of these scenarios is computationally heavy and requires the efficient use of state-of-the-art petascale supercomputing systems. We discuss the main difficulties involved in running these simulations and the new developments implemented in the OSIRIS framework to address these issues, ranging from multi-dimensional dynamic load balancing and hybrid distributed/shared memory parallelism to the vectorization of the PIC algorithm. We present the results of the OASCR Joule Metric program on the issue of large scale modelling of LWFA, demonstrating speedups of over 1 order of magnitude on the same hardware. Finally, scalability to over ∼10 6 cores and sustained performance over ∼2 P Flops is demonstrated, opening the way for large scale modelling of LWFA scenarios. (paper)
DEFF Research Database (Denmark)
Nielsen, Kirsten Mølgaard; Nielsen, Jens Frederik Dalsgaard
The subject of this Ph.D. thesis is to investigate and develop methods for modelling, simulation and control applicable in large scale termal industrial plants. An ambition has been to evaluate the results in a physical process. Sugar production is well suited for the purpose. In collaboration...... simulator has been developed. The simulator handles the normal working conditions relevant to control engineers. A non-linear dynamic model based on mass and energy balances has been developed. The model parameters have been adjusted to data measured on a Danish sugar plant. The simulator consists...... of a computer, a data terminal and an electric interface corresponding to the interface at the sugar plant. The simulator is operating in realtime and thus a realistic test of controllers is possible. The idiomatic control methodology has been investigated developing a control concept for the evaporation...
Energy Technology Data Exchange (ETDEWEB)
Tolonen, J.; Konttinen, P.; Lund, P. [Helsinki Univ. of Technology, Otaniemi (Finland). Dept. of Engineering Physics and Mathematics
1998-12-31
In this project a large domestic solar heating system was built and a solar district heating system was modelled and simulated. Objectives were to improve the performance and reduce costs of a large-scale solar heating system. As a result of the project the benefit/cost ratio can be increased by 40 % through dimensioning and optimising the system at the designing stage. (orig.)
Directory of Open Access Journals (Sweden)
Li Ke
2014-12-01
Full Text Available A large-scale high altitude environment simulation test cabin was developed to accurately control temperatures and pressures encountered at high altitudes. The system was developed to provide slope-tracking dynamic control of the temperature–pressure two-parameter and overcome the control difficulties inherent to a large inertia lag link with a complex control system which is composed of turbine refrigeration device, vacuum device and liquid nitrogen cooling device. The system includes multi-parameter decoupling of the cabin itself to avoid equipment damage of air refrigeration turbine caused by improper operation. Based on analysis of the dynamic characteristics and modeling for variations in temperature, pressure and rotation speed, an intelligent controller was implemented that includes decoupling and fuzzy arithmetic combined with an expert PID controller to control test parameters by decoupling and slope tracking control strategy. The control system employed centralized management in an open industrial ethernet architecture with an industrial computer at the core. The simulation and field debugging and running results show that this method can solve the problems of a poor anti-interference performance typical for a conventional PID and overshooting that can readily damage equipment. The steady-state characteristics meet the system requirements.
ROSA-IV Large Scale Test Facility (LSTF) system description for second simulated fuel assembly
International Nuclear Information System (INIS)
1990-10-01
The ROSA-IV Program's Large Scale Test Facility (LSTF) is a test facility for integral simulation of thermal-hydraulic response of a pressurized water reactor (PWR) during small break loss-of-coolant accidents (LOCAs) and transients. In this facility, the PWR core nuclear fuel rods are simulated using electric heater rods. The simulated fuel assembly which was installed during the facility construction was replaced with a new one in 1988. The first test with this second simulated fuel assembly was conducted in December 1988. This report describes the facility configuration and characteristics as of this date (December 1988) including the new simulated fuel assembly design and the facility changes which were made during the testing with the first assembly as well as during the renewal of the simulated fuel assembly. (author)
HTTR plant dynamic simulation using a hybrid computer
International Nuclear Information System (INIS)
Shimazaki, Junya; Suzuki, Katsuo; Nabeshima, Kunihiko; Watanabe, Koichi; Shinohara, Yoshikuni; Nakagawa, Shigeaki.
1990-01-01
A plant dynamic simulation of High-Temperature Engineering Test Reactor has been made using a new-type hybrid computer. This report describes a dynamic simulation model of HTTR, a hybrid simulation method for SIMSTAR and some results obtained from dynamics analysis of HTTR simulation. It concludes that the hybrid plant simulation is useful for on-line simulation on account of its capability of computation at high speed, compared with that of all digital computer simulation. With sufficient accuracy, 40 times faster computation than real time was reached only by changing an analog time scale for HTTR simulation. (author)
Torres, Olivier; Braconnot, Pascale; Marti, Olivier; Gential, Luc
2018-05-01
The turbulent fluxes across the ocean/atmosphere interface represent one of the principal driving forces of the global atmospheric and oceanic circulation. Despite decades of effort and improvements, representation of these fluxes still presents a challenge due to the small-scale acting turbulent processes compared to the resolved scales of the models. Beyond this subgrid parameterization issue, a comprehensive understanding of the impact of air-sea interactions on the climate system is still lacking. In this paper we investigates the large-scale impacts of the transfer coefficient used to compute turbulent heat fluxes with the IPSL-CM4 climate model in which the surface bulk formula is modified. Analyzing both atmosphere and coupled ocean-atmosphere general circulation model (AGCM, OAGCM) simulations allows us to study the direct effect and the mechanisms of adjustment to this modification. We focus on the representation of latent heat flux in the tropics. We show that the heat transfer coefficients are highly similar for a given parameterization between AGCM and OAGCM simulations. Although the same areas are impacted in both kind of simulations, the differences in surface heat fluxes are substantial. A regional modification of heat transfer coefficient has more impact than uniform modification in AGCM simulations while in OAGCM simulations, the opposite is observed. By studying the global energetics and the atmospheric circulation response to the modification, we highlight the role of the ocean in dampening a large part of the disturbance. Modification of the heat exchange coefficient modifies the way the coupled system works due to the link between atmospheric circulation and SST, and the different feedbacks between ocean and atmosphere. The adjustment that takes place implies a balance of net incoming solar radiation that is the same in all simulations. As there is no change in model physics other than drag coefficient, we obtain similar latent heat flux
Parallel Motion Simulation of Large-Scale Real-Time Crowd in a Hierarchical Environmental Model
Directory of Open Access Journals (Sweden)
Xin Wang
2012-01-01
Full Text Available This paper presents a parallel real-time crowd simulation method based on a hierarchical environmental model. A dynamical model of the complex environment should be constructed to simulate the state transition and propagation of individual motions. By modeling of a virtual environment where virtual crowds reside, we employ different parallel methods on a topological layer, a path layer and a perceptual layer. We propose a parallel motion path matching method based on the path layer and a parallel crowd simulation method based on the perceptual layer. The large-scale real-time crowd simulation becomes possible with these methods. Numerical experiments are carried out to demonstrate the methods and results.
Development of porous structure simulator for multi-scale simulation of irregular porous catalysts
International Nuclear Information System (INIS)
Koyama, Michihisa; Suzuki, Ai; Sahnoun, Riadh; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A.; Miyamoto, Akira
2008-01-01
Efficient development of highly functional porous materials, used as catalysts in the automobile industry, demands a meticulous knowledge of the nano-scale interface at the electronic and atomistic scale. However, it is often difficult to correlate the microscopic interfacial interactions with macroscopic characteristics of the materials; for instance, the interaction between a precious metal and its support oxide with long-term sintering properties of the catalyst. Multi-scale computational chemistry approaches can contribute to bridge the gap between micro- and macroscopic characteristics of these materials; however this type of multi-scale simulations has been difficult to apply especially to porous materials. To overcome this problem, we have developed a novel mesoscopic approach based on a porous structure simulator. This simulator can construct automatically irregular porous structures on a computer, enabling simulations with complex meso-scale structures. Moreover, in this work we have developed a new method to simulate long-term sintering properties of metal particles on porous catalysts. Finally, we have applied the method to the simulation of sintering properties of Pt on alumina support. This newly developed method has enabled us to propose a multi-scale simulation approach for porous catalysts
Helman, E. Udi
This dissertation conducts research into the large-scale simulation of oligopolistic competition in wholesale electricity markets. The dissertation has two parts. Part I is an examination of the structure and properties of several spatial, or network, equilibrium models of oligopolistic electricity markets formulated as mixed linear complementarity problems (LCP). Part II is a large-scale application of such models to the electricity system that encompasses most of the United States east of the Rocky Mountains, the Eastern Interconnection. Part I consists of Chapters 1 to 6. The models developed in this part continue research into mixed LCP models of oligopolistic electricity markets initiated by Hobbs [67] and subsequently developed by Metzler [87] and Metzler, Hobbs and Pang [88]. Hobbs' central contribution is a network market model with Cournot competition in generation and a price-taking spatial arbitrage firm that eliminates spatial price discrimination by the Cournot firms. In one variant, the solution to this model is shown to be equivalent to the "no arbitrage" condition in a "pool" market, in which a Regional Transmission Operator optimizes spot sales such that the congestion price between two locations is exactly equivalent to the difference in the energy prices at those locations (commonly known as locational marginal pricing). Extensions to this model are presented in Chapters 5 and 6. One of these is a market model with a profit-maximizing arbitrage firm. This model is structured as a mathematical program with equilibrium constraints (MPEC), but due to the linearity of its constraints, can be solved as a mixed LCP. Part II consists of Chapters 7 to 12. The core of these chapters is a large-scale simulation of the U.S. Eastern Interconnection applying one of the Cournot competition with arbitrage models. This is the first oligopolistic equilibrium market model to encompass the full Eastern Interconnection with a realistic network representation (using
Large Eddy Simulation (LES for IC Engine Flows
Directory of Open Access Journals (Sweden)
Kuo Tang-Wei
2013-10-01
Full Text Available Numerical computations are carried out using an engineering-level Large Eddy Simulation (LES model that is provided by a commercial CFD code CONVERGE. The analytical framework and experimental setup consist of a single cylinder engine with Transparent Combustion Chamber (TCC under motored conditions. A rigorous working procedure for comparing and analyzing the results from simulation and high speed Particle Image Velocimetry (PIV experiments is documented in this work. The following aspects of LES are analyzed using this procedure: number of cycles required for convergence with adequate accuracy; effect of mesh size, time step, sub-grid-scale (SGS turbulence models and boundary condition treatments; application of the proper orthogonal decomposition (POD technique.
Large Scale Computing and Storage Requirements for Basic Energy Sciences Research
Energy Technology Data Exchange (ETDEWEB)
Gerber, Richard; Wasserman, Harvey
2011-03-31
The National Energy Research Scientific Computing Center (NERSC) is the leading scientific computing facility supporting research within the Department of Energy's Office of Science. NERSC provides high-performance computing (HPC) resources to approximately 4,000 researchers working on about 400 projects. In addition to hosting large-scale computing facilities, NERSC provides the support and expertise scientists need to effectively and efficiently use HPC systems. In February 2010, NERSC, DOE's Office of Advanced Scientific Computing Research (ASCR) and DOE's Office of Basic Energy Sciences (BES) held a workshop to characterize HPC requirements for BES research through 2013. The workshop was part of NERSC's legacy of anticipating users future needs and deploying the necessary resources to meet these demands. Workshop participants reached a consensus on several key findings, in addition to achieving the workshop's goal of collecting and characterizing computing requirements. The key requirements for scientists conducting research in BES are: (1) Larger allocations of computational resources; (2) Continued support for standard application software packages; (3) Adequate job turnaround time and throughput; and (4) Guidance and support for using future computer architectures. This report expands upon these key points and presents others. Several 'case studies' are included as significant representative samples of the needs of science teams within BES. Research teams scientific goals, computational methods of solution, current and 2013 computing requirements, and special software and support needs are summarized in these case studies. Also included are researchers strategies for computing in the highly parallel, 'multi-core' environment that is expected to dominate HPC architectures over the next few years. NERSC has strategic plans and initiatives already underway that address key workshop findings. This report includes a
Bridging the scales in atmospheric composition simulations using a nudging technique
D'Isidoro, Massimo; Maurizi, Alberto; Russo, Felicita; Tampieri, Francesco
2010-05-01
Studying the interaction between climate and anthropogenic activities, specifically those concentrated in megacities/hot spots, requires the description of processes in a very wide range of scales from local, where anthropogenic emissions are concentrated to global where we are interested to study the impact of these sources. The description of all the processes at all scales within the same numerical implementation is not feasible because of limited computer resources. Therefore, different phenomena are studied by means of different numerical models that can cover different range of scales. The exchange of information from small to large scale is highly non-trivial though of high interest. In fact uncertainties in large scale simulations are expected to receive large contribution from the most polluted areas where the highly inhomogeneous distribution of sources connected to the intrinsic non-linearity of the processes involved can generate non negligible departures between coarse and fine scale simulations. In this work a new method is proposed and investigated in a case study (August 2009) using the BOLCHEM model. Monthly simulations at coarse (0.5° European domain, run A) and fine (0.1° Central Mediterranean domain, run B) horizontal resolution are performed using the coarse resolution as boundary condition for the fine one. Then another coarse resolution run (run C) is performed, in which the high resolution fields remapped on to the coarse grid are used to nudge the concentrations on the Po Valley area. The nudging is applied to all gas and aerosol species of BOLCHEM. Averaged concentrations and variances over Po Valley and other selected areas for O3 and PM are computed. It is observed that although the variance of run B is markedly larger than that of run A, the variance of run C is smaller because the remapping procedure removes large portion of variance from run B fields. Mean concentrations show some differences depending on species: in general mean
3D fast adaptive correlation imaging for large-scale gravity data based on GPU computation
Chen, Z.; Meng, X.; Guo, L.; Liu, G.
2011-12-01
In recent years, large scale gravity data sets have been collected and employed to enhance gravity problem-solving abilities of tectonics studies in China. Aiming at the large scale data and the requirement of rapid interpretation, previous authors have carried out a lot of work, including the fast gradient module inversion and Euler deconvolution depth inversion ,3-D physical property inversion using stochastic subspaces and equivalent storage, fast inversion using wavelet transforms and a logarithmic barrier method. So it can be say that 3-D gravity inversion has been greatly improved in the last decade. Many authors added many different kinds of priori information and constraints to deal with nonuniqueness using models composed of a large number of contiguous cells of unknown property and obtained good results. However, due to long computation time, instability and other shortcomings, 3-D physical property inversion has not been widely applied to large-scale data yet. In order to achieve 3-D interpretation with high efficiency and precision for geological and ore bodies and obtain their subsurface distribution, there is an urgent need to find a fast and efficient inversion method for large scale gravity data. As an entirely new geophysical inversion method, 3D correlation has a rapid development thanks to the advantage of requiring no a priori information and demanding small amount of computer memory. This method was proposed to image the distribution of equivalent excess masses of anomalous geological bodies with high resolution both longitudinally and transversely. In order to tranform the equivalence excess masses into real density contrasts, we adopt the adaptive correlation imaging for gravity data. After each 3D correlation imaging, we change the equivalence into density contrasts according to the linear relationship, and then carry out forward gravity calculation for each rectangle cells. Next, we compare the forward gravity data with real data, and
International Nuclear Information System (INIS)
Scemama, Anthony; Caffarel, Michel; Oseret, Emmanuel; Jalby, William
2013-01-01
Various strategies to implement efficiently quantum Monte Carlo (QMC) simulations for large chemical systems are presented. These include: (i) the introduction of an efficient algorithm to calculate the computationally expensive Slater matrices. This novel scheme is based on the use of the highly localized character of atomic Gaussian basis functions (not the molecular orbitals as usually done), (ii) the possibility of keeping the memory footprint minimal, (iii) the important enhancement of single-core performance when efficient optimization tools are used, and (iv) the definition of a universal, dynamic, fault-tolerant, and load-balanced framework adapted to all kinds of computational platforms (massively parallel machines, clusters, or distributed grids). These strategies have been implemented in the QMC-Chem code developed at Toulouse and illustrated with numerical applications on small peptides of increasing sizes (158, 434, 1056, and 1731 electrons). Using 10-80 k computing cores of the Curie machine (GENCI-TGCC-CEA, France), QMC-Chem has been shown to be capable of running at the peta scale level, thus demonstrating that for this machine a large part of the peak performance can be achieved. Implementation of large-scale QMC simulations for future exa scale platforms with a comparable level of efficiency is expected to be feasible. (authors)
Simulation of a Large Wildfire in a Coupled Fire-Atmosphere Model
Directory of Open Access Journals (Sweden)
Jean-Baptiste Filippi
2018-06-01
Full Text Available The Aullene fire devastated more than 3000 ha of Mediterranean maquis and pine forest in July 2009. The simulation of combustion processes, as well as atmospheric dynamics represents a challenge for such scenarios because of the various involved scales, from the scale of the individual flames to the larger regional scale. A coupled approach between the Meso-NH (Meso-scale Non-Hydrostatic atmospheric model running in LES (Large Eddy Simulation mode and the ForeFire fire spread model is proposed for predicting fine- to large-scale effects of this extreme wildfire, showing that such simulation is possible in a reasonable time using current supercomputers. The coupling involves the surface wind to drive the fire, while heat from combustion and water vapor fluxes are injected into the atmosphere at each atmospheric time step. To be representative of the phenomenon, a sub-meter resolution was used for the simulation of the fire front, while atmospheric simulations were performed with nested grids from 2400-m to 50-m resolution. Simulations were run with or without feedback from the fire to the atmospheric model, or without coupling from the atmosphere to the fire. In the two-way mode, the burnt area was reproduced with a good degree of realism at the local scale, where an acceleration in the valley wind and over sloping terrain pushed the fire line to locations in accordance with fire passing point observations. At the regional scale, the simulated fire plume compares well with the satellite image. The study explores the strong fire-atmosphere interactions leading to intense convective updrafts extending above the boundary layer, significant downdrafts behind the fire line in the upper plume, and horizontal wind speeds feeding strong inflow into the base of the convective updrafts. The fire-induced dynamics is induced by strong near-surface sensible heat fluxes reaching maximum values of 240 kW m − 2 . The dynamical production of turbulent kinetic
Multi-scale simulation for homogenization of cement media
International Nuclear Information System (INIS)
Abballe, T.
2011-01-01
To solve diffusion problems on cement media, two scales must be taken into account: a fine scale, which describes the micrometers wide microstructures present in the media, and a work scale, which is usually a few meters long. Direct numerical simulations are almost impossible because of the huge computational resources (memory, CPU time) required to assess both scales at the same time. To overcome this problem, we present in this thesis multi-scale resolution methods using both Finite Volumes and Finite Elements, along with their efficient implementations. More precisely, we developed a multi-scale simulation tool which uses the SALOME platform to mesh domains and post-process data, and the parallel calculation code MPCube to solve problems. This SALOME/MPCube tool can solve automatically and efficiently multi-scale simulations. Parallel structure of computer clusters can be use to dispatch the more time-consuming tasks. We optimized most functions to account for cement media specificities. We presents numerical experiments on various cement media samples, e.g. mortar and cement paste. From these results, we manage to compute a numerical effective diffusivity of our cement media and to reconstruct a fine scale solution. (author) [fr
International Nuclear Information System (INIS)
Yang, C L; Wei, H Y; Soleimani, M; Adler, A
2013-01-01
Electrical impedance tomography (EIT) is a fast and cost-effective technique to provide a tomographic conductivity image of a subject from boundary current–voltage data. This paper proposes a time and memory efficient method for solving a large scale 3D EIT inverse problem using a parallel conjugate gradient (CG) algorithm. The 3D EIT system with a large number of measurement data can produce a large size of Jacobian matrix; this could cause difficulties in computer storage and the inversion process. One of challenges in 3D EIT is to decrease the reconstruction time and memory usage, at the same time retaining the image quality. Firstly, a sparse matrix reduction technique is proposed using thresholding to set very small values of the Jacobian matrix to zero. By adjusting the Jacobian matrix into a sparse format, the element with zeros would be eliminated, which results in a saving of memory requirement. Secondly, a block-wise CG method for parallel reconstruction has been developed. The proposed method has been tested using simulated data as well as experimental test samples. Sparse Jacobian with a block-wise CG enables the large scale EIT problem to be solved efficiently. Image quality measures are presented to quantify the effect of sparse matrix reduction in reconstruction results. (paper)
Yang, C L; Wei, H Y; Adler, A; Soleimani, M
2013-06-01
Electrical impedance tomography (EIT) is a fast and cost-effective technique to provide a tomographic conductivity image of a subject from boundary current-voltage data. This paper proposes a time and memory efficient method for solving a large scale 3D EIT inverse problem using a parallel conjugate gradient (CG) algorithm. The 3D EIT system with a large number of measurement data can produce a large size of Jacobian matrix; this could cause difficulties in computer storage and the inversion process. One of challenges in 3D EIT is to decrease the reconstruction time and memory usage, at the same time retaining the image quality. Firstly, a sparse matrix reduction technique is proposed using thresholding to set very small values of the Jacobian matrix to zero. By adjusting the Jacobian matrix into a sparse format, the element with zeros would be eliminated, which results in a saving of memory requirement. Secondly, a block-wise CG method for parallel reconstruction has been developed. The proposed method has been tested using simulated data as well as experimental test samples. Sparse Jacobian with a block-wise CG enables the large scale EIT problem to be solved efficiently. Image quality measures are presented to quantify the effect of sparse matrix reduction in reconstruction results.
Sagui, Celeste
2006-03-01
An accurate and numerically efficient treatment of electrostatics is essential for biomolecular simulations, as this stabilizes much of the delicate 3-d structure associated with biomolecules. Currently, force fields such as AMBER and CHARMM assign ``partial charges'' to every atom in a simulation in order to model the interatomic electrostatic forces, so that the calculation of the electrostatics rapidly becomes the computational bottleneck in large-scale simulations. There are two main issues associated with the current treatment of classical electrostatics: (i) how does one eliminate the artifacts associated with the point-charges (e.g., the underdetermined nature of the current RESP fitting procedure for large, flexible molecules) used in the force fields in a physically meaningful way? (ii) how does one efficiently simulate the very costly long-range electrostatic interactions? Recently, we have dealt with both of these challenges as follows. In order to improve the description of the molecular electrostatic potentials (MEPs), a new distributed multipole analysis based on localized functions -- Wannier, Boys, and Edminston-Ruedenberg -- was introduced, which allows for a first principles calculation of the partial charges and multipoles. Through a suitable generalization of the particle mesh Ewald (PME) and multigrid method, one can treat electrostatic multipoles all the way to hexadecapoles all without prohibitive extra costs. The importance of these methods for large-scale simulations will be discussed, and examplified by simulations from polarizable DNA models.
Improving Large-scale Storage System Performance via Topology-aware and Balanced Data Placement
Energy Technology Data Exchange (ETDEWEB)
Wang, Feiyi [ORNL; Oral, H Sarp [ORNL; Vazhkudai, Sudharshan S [ORNL
2014-01-01
With the advent of big data, the I/O subsystems of large-scale compute clusters are becoming a center of focus, with more applications putting greater demands on end-to-end I/O performance. These subsystems are often complex in design. They comprise of multiple hardware and software layers to cope with the increasing capacity, capability and scalability requirements of data intensive applications. The sharing nature of storage resources and the intrinsic interactions across these layers make it to realize user-level, end-to-end performance gains a great challenge. We propose a topology-aware resource load balancing strategy to improve per-application I/O performance. We demonstrate the effectiveness of our algorithm on an extreme-scale compute cluster, Titan, at the Oak Ridge Leadership Computing Facility (OLCF). Our experiments with both synthetic benchmarks and a real-world application show that, even under congestion, our proposed algorithm can improve large-scale application I/O performance significantly, resulting in both the reduction of application run times and higher resolution simulation runs.
Computer model for large-scale offshore wind-power systems
Energy Technology Data Exchange (ETDEWEB)
Dambolena, I G [Bucknell Univ., Lewisburg, PA; Rikkers, R F; Kaminsky, F C
1977-01-01
A computer-based planning model has been developed to evaluate the cost and simulate the performance of offshore wind-power systems. In these systems, the electricity produced by wind generators either satisfies directly demand or produces hydrogen by water electrolysis. The hydrogen is stored and later used to produce electricity in fuel cells. Using as inputs basic characteristics of the system and historical or computer-generated time series for wind speed and electricity demand, the model simulates system performance over time. A history of the energy produced and the discounted annual cost of the system are used to evaluate alternatives. The output also contains information which is useful in pointing towards more favorable design alternatives. Use of the model to analyze a specific wind-power system for New England indicates that electric energy could perhaps be generated at a competitive cost.
Numerically modelling the large scale coronal magnetic field
Panja, Mayukh; Nandi, Dibyendu
2016-07-01
The solar corona spews out vast amounts of magnetized plasma into the heliosphere which has a direct impact on the Earth's magnetosphere. Thus it is important that we develop an understanding of the dynamics of the solar corona. With our present technology it has not been possible to generate 3D magnetic maps of the solar corona; this warrants the use of numerical simulations to study the coronal magnetic field. A very popular method of doing this, is to extrapolate the photospheric magnetic field using NLFF or PFSS codes. However the extrapolations at different time intervals are completely independent of each other and do not capture the temporal evolution of magnetic fields. On the other hand full MHD simulations of the global coronal field, apart from being computationally very expensive would be physically less transparent, owing to the large number of free parameters that are typically used in such codes. This brings us to the Magneto-frictional model which is relatively simpler and computationally more economic. We have developed a Magnetofrictional Model, in 3D spherical polar co-ordinates to study the large scale global coronal field. Here we present studies of changing connectivities between active regions, in response to photospheric motions.
Large-scale patterns in Rayleigh-Benard convection
International Nuclear Information System (INIS)
Hardenberg, J. von; Parodi, A.; Passoni, G.; Provenzale, A.; Spiegel, E.A.
2008-01-01
Rayleigh-Benard convection at large Rayleigh number is characterized by the presence of intense, vertically moving plumes. Both laboratory and numerical experiments reveal that the rising and descending plumes aggregate into separate clusters so as to produce large-scale updrafts and downdrafts. The horizontal scales of the aggregates reported so far have been comparable to the horizontal extent of the containers, but it has not been clear whether that represents a limitation imposed by domain size. In this work, we present numerical simulations of convection at sufficiently large aspect ratio to ascertain whether there is an intrinsic saturation scale for the clustering process when that ratio is large enough. From a series of simulations of Rayleigh-Benard convection with Rayleigh numbers between 10 5 and 10 8 and with aspect ratios up to 12π, we conclude that the clustering process has a finite horizontal saturation scale with at most a weak dependence on Rayleigh number in the range studied
Topology Optimization of Large Scale Stokes Flow Problems
DEFF Research Database (Denmark)
Aage, Niels; Poulsen, Thomas Harpsøe; Gersborg-Hansen, Allan
2008-01-01
This note considers topology optimization of large scale 2D and 3D Stokes flow problems using parallel computations. We solve problems with up to 1.125.000 elements in 2D and 128.000 elements in 3D on a shared memory computer consisting of Sun UltraSparc IV CPUs.......This note considers topology optimization of large scale 2D and 3D Stokes flow problems using parallel computations. We solve problems with up to 1.125.000 elements in 2D and 128.000 elements in 3D on a shared memory computer consisting of Sun UltraSparc IV CPUs....
Traffic Flow Prediction Model for Large-Scale Road Network Based on Cloud Computing
Directory of Open Access Journals (Sweden)
Zhaosheng Yang
2014-01-01
Full Text Available To increase the efficiency and precision of large-scale road network traffic flow prediction, a genetic algorithm-support vector machine (GA-SVM model based on cloud computing is proposed in this paper, which is based on the analysis of the characteristics and defects of genetic algorithm and support vector machine. In cloud computing environment, firstly, SVM parameters are optimized by the parallel genetic algorithm, and then this optimized parallel SVM model is used to predict traffic flow. On the basis of the traffic flow data of Haizhu District in Guangzhou City, the proposed model was verified and compared with the serial GA-SVM model and parallel GA-SVM model based on MPI (message passing interface. The results demonstrate that the parallel GA-SVM model based on cloud computing has higher prediction accuracy, shorter running time, and higher speedup.
GPU-accelerated micromagnetic simulations using cloud computing
Energy Technology Data Exchange (ETDEWEB)
Jermain, C.L., E-mail: clj72@cornell.edu [Cornell University, Ithaca, NY 14853 (United States); Rowlands, G.E.; Buhrman, R.A. [Cornell University, Ithaca, NY 14853 (United States); Ralph, D.C. [Cornell University, Ithaca, NY 14853 (United States); Kavli Institute at Cornell, Ithaca, NY 14853 (United States)
2016-03-01
Highly parallel graphics processing units (GPUs) can improve the speed of micromagnetic simulations significantly as compared to conventional computing using central processing units (CPUs). We present a strategy for performing GPU-accelerated micromagnetic simulations by utilizing cost-effective GPU access offered by cloud computing services with an open-source Python-based program for running the MuMax3 micromagnetics code remotely. We analyze the scaling and cost benefits of using cloud computing for micromagnetics. - Highlights: • The benefits of cloud computing for GPU-accelerated micromagnetics are examined. • We present the MuCloud software for running simulations on cloud computing. • Simulation run times are measured to benchmark cloud computing performance. • Comparison benchmarks are analyzed between CPU and GPU based solvers.
GPU-accelerated micromagnetic simulations using cloud computing
International Nuclear Information System (INIS)
Jermain, C.L.; Rowlands, G.E.; Buhrman, R.A.; Ralph, D.C.
2016-01-01
Highly parallel graphics processing units (GPUs) can improve the speed of micromagnetic simulations significantly as compared to conventional computing using central processing units (CPUs). We present a strategy for performing GPU-accelerated micromagnetic simulations by utilizing cost-effective GPU access offered by cloud computing services with an open-source Python-based program for running the MuMax3 micromagnetics code remotely. We analyze the scaling and cost benefits of using cloud computing for micromagnetics. - Highlights: • The benefits of cloud computing for GPU-accelerated micromagnetics are examined. • We present the MuCloud software for running simulations on cloud computing. • Simulation run times are measured to benchmark cloud computing performance. • Comparison benchmarks are analyzed between CPU and GPU based solvers.
Large Scale Computing and Storage Requirements for High Energy Physics
Energy Technology Data Exchange (ETDEWEB)
Gerber, Richard A.; Wasserman, Harvey
2010-11-24
The National Energy Research Scientific Computing Center (NERSC) is the leading scientific computing facility for the Department of Energy's Office of Science, providing high-performance computing (HPC) resources to more than 3,000 researchers working on about 400 projects. NERSC provides large-scale computing resources and, crucially, the support and expertise needed for scientists to make effective use of them. In November 2009, NERSC, DOE's Office of Advanced Scientific Computing Research (ASCR), and DOE's Office of High Energy Physics (HEP) held a workshop to characterize the HPC resources needed at NERSC to support HEP research through the next three to five years. The effort is part of NERSC's legacy of anticipating users needs and deploying resources to meet those demands. The workshop revealed several key points, in addition to achieving its goal of collecting and characterizing computing requirements. The chief findings: (1) Science teams need access to a significant increase in computational resources to meet their research goals; (2) Research teams need to be able to read, write, transfer, store online, archive, analyze, and share huge volumes of data; (3) Science teams need guidance and support to implement their codes on future architectures; and (4) Projects need predictable, rapid turnaround of their computational jobs to meet mission-critical time constraints. This report expands upon these key points and includes others. It also presents a number of case studies as representative of the research conducted within HEP. Workshop participants were asked to codify their requirements in this case study format, summarizing their science goals, methods of solution, current and three-to-five year computing requirements, and software and support needs. Participants were also asked to describe their strategy for computing in the highly parallel, multi-core environment that is expected to dominate HPC architectures over the next few years
Test-particle simulations of SEP propagation in IMF with large-scale fluctuations
Kelly, J.; Dalla, S.; Laitinen, T.
2012-11-01
The results of full-orbit test-particle simulations of SEPs propagating through an IMF which exhibits large-scale fluctuations are presented. A variety of propagation conditions are simulated - scatter-free, and scattering with mean free path, λ, of 0.3 and 2.0 AU - and the cross-field transport of SEPs is investigated. When calculating cross-field displacements the Parker spiral geometry is accounted for and the role of magnetic field expansion is taken into account. It is found that transport across the magnetic field is enhanced in the λ =0.3 AU and λ =2 AU cases, compared to the scatter-free case, with the λ =2 AU case in particular containing outlying particles that had strayed a large distance across the IMF. Outliers are catergorized by means of Chauvenet's criterion and it is found that typically between 1 and 2% of the population falls within this category. The ratio of latitudinal to longitudinal diffusion coefficient perpendicular to the magnetic field is typically 0.2, suggesting that transport in latitude is less efficient.
Kurucz, Charles N.; Waite, Thomas D.; Otaño, Suzana E.; Cooper, William J.; Nickelsen, Michael G.
2002-11-01
The effectiveness of using high energy electron beam irradiation for the removal of toxic organic chemicals from water and wastewater has been demonstrated by commercial-scale experiments conducted at the Electron Beam Research Facility (EBRF) located in Miami, Florida and elsewhere. The EBRF treats various waste and water streams up to 450 l min -1 (120 gal min -1) with doses up to 8 kilogray (kGy). Many experiments have been conducted by injecting toxic organic compounds into various plant feed streams and measuring the concentrations of compound(s) before and after exposure to the electron beam at various doses. Extensive experimentation has also been performed by dissolving selected chemicals in 22,700 l (6000 gal) tank trucks of potable water to simulate contaminated groundwater, and pumping the resulting solutions through the electron beam. These large-scale experiments, although necessary to demonstrate the commercial viability of the process, require a great deal of time and effort. This paper compares the results of large-scale electron beam irradiations to those obtained from bench-scale irradiations using gamma rays generated by a 60Co source. Dose constants from exponential contaminant removal models are found to depend on the source of radiation and initial contaminant concentration. Possible reasons for observed differences such as a dose rate effect are discussed. Models for estimating electron beam dose constants from bench-scale gamma experiments are presented. Data used to compare the removal of organic compounds using gamma irradiation and electron beam irradiation are taken from the literature and a series of experiments designed to examine the effects of pH, the presence of turbidity, and initial concentration on the removal of various organic compounds (benzene, toluene, phenol, PCE, TCE and chloroform) from simulated groundwater.
International Nuclear Information System (INIS)
Kurucz, Charles N.; Waite, Thomas D.; Otano, Suzana E.; Cooper, William J.; Nickelsen, Michael G.
2002-01-01
The effectiveness of using high energy electron beam irradiation for the removal of toxic organic chemicals from water and wastewater has been demonstrated by commercial-scale experiments conducted at the Electron Beam Research Facility (EBRF) located in Miami, Florida and elsewhere. The EBRF treats various waste and water streams up to 450 l min -1 (120 gal min -1 ) with doses up to 8 kilogray (kGy). Many experiments have been conducted by injecting toxic organic compounds into various plant feed streams and measuring the concentrations of compound(s) before and after exposure to the electron beam at various doses. Extensive experimentation has also been performed by dissolving selected chemicals in 22,700 l (6000 gal) tank trucks of potable water to simulate contaminated groundwater, and pumping the resulting solutions through the electron beam. These large-scale experiments, although necessary to demonstrate the commercial viability of the process, require a great deal of time and effort. This paper compares the results of large-scale electron beam irradiations to those obtained from bench-scale irradiations using gamma rays generated by a 60 Co source. Dose constants from exponential contaminant removal models are found to depend on the source of radiation and initial contaminant concentration. Possible reasons for observed differences such as a dose rate effect are discussed. Models for estimating electron beam dose constants from bench-scale gamma experiments are presented. Data used to compare the removal of organic compounds using gamma irradiation and electron beam irradiation are taken from the literature and a series of experiments designed to examine the effects of pH, the presence of turbidity, and initial concentration on the removal of various organic compounds (benzene, toluene, phenol, PCE, TCE and chloroform) from simulated groundwater
Modeling and analysis of large-eddy simulations of particle-laden turbulent boundary layer flows
Rahman, Mustafa M.
2017-01-05
We describe a framework for the large-eddy simulation of solid particles suspended and transported within an incompressible turbulent boundary layer (TBL). For the fluid phase, the large-eddy simulation (LES) of incompressible turbulent boundary layer employs stretched spiral vortex subgrid-scale model and a virtual wall model similar to the work of Cheng, Pullin & Samtaney (J. Fluid Mech., 2015). This LES model is virtually parameter free and involves no active filtering of the computed velocity field. Furthermore, a recycling method to generate turbulent inflow is implemented. For the particle phase, the direct quadrature method of moments (DQMOM) is chosen in which the weights and abscissas of the quadrature approximation are tracked directly rather than the moments themselves. The numerical method in this framework is based on a fractional-step method with an energy-conservative fourth-order finite difference scheme on a staggered mesh. This code is parallelized based on standard message passing interface (MPI) protocol and is designed for distributed-memory machines. It is proposed to utilize this framework to examine transport of particles in very large-scale simulations. The solver is validated using the well know result of Taylor-Green vortex case. A large-scale sandstorm case is simulated and the altitude variations of number density along with its fluctuations are quantified.
Simulation research on the process of large scale ship plane segmentation intelligent workshop
Xu, Peng; Liao, Liangchuang; Zhou, Chao; Xue, Rui; Fu, Wei
2017-04-01
Large scale ship plane segmentation intelligent workshop is a new thing, and there is no research work in related fields at home and abroad. The mode of production should be transformed by the existing industry 2.0 or part of industry 3.0, also transformed from "human brain analysis and judgment + machine manufacturing" to "machine analysis and judgment + machine manufacturing". In this transforming process, there are a great deal of tasks need to be determined on the aspects of management and technology, such as workshop structure evolution, development of intelligent equipment and changes in business model. Along with them is the reformation of the whole workshop. Process simulation in this project would verify general layout and process flow of large scale ship plane section intelligent workshop, also would analyze intelligent workshop working efficiency, which is significant to the next step of the transformation of plane segmentation intelligent workshop.
Using a million cell simulation of the cerebellum: network scaling and task generality.
Li, Wen-Ke; Hausknecht, Matthew J; Stone, Peter; Mauk, Michael D
2013-11-01
Several factors combine to make it feasible to build computer simulations of the cerebellum and to test them in biologically realistic ways. These simulations can be used to help understand the computational contributions of various cerebellar components, including the relevance of the enormous number of neurons in the granule cell layer. In previous work we have used a simulation containing 12000 granule cells to develop new predictions and to account for various aspects of eyelid conditioning, a form of motor learning mediated by the cerebellum. Here we demonstrate the feasibility of scaling up this simulation to over one million granule cells using parallel graphics processing unit (GPU) technology. We observe that this increase in number of granule cells requires only twice the execution time of the smaller simulation on the GPU. We demonstrate that this simulation, like its smaller predecessor, can emulate certain basic features of conditioned eyelid responses, with a slight improvement in performance in one measure. We also use this simulation to examine the generality of the computation properties that we have derived from studying eyelid conditioning. We demonstrate that this scaled up simulation can learn a high level of performance in a classic machine learning task, the cart-pole balancing task. These results suggest that this parallel GPU technology can be used to build very large-scale simulations whose connectivity ratios match those of the real cerebellum and that these simulations can be used guide future studies on cerebellar mediated tasks and on machine learning problems. Copyright © 2012 Elsevier Ltd. All rights reserved.
Cluster computing for lattice QCD simulations
International Nuclear Information System (INIS)
Coddington, P.D.; Williams, A.G.
2000-01-01
Full text: Simulations of lattice quantum chromodynamics (QCD) require enormous amounts of compute power. In the past, this has usually involved sharing time on large, expensive machines at supercomputing centres. Over the past few years, clusters of networked computers have become very popular as a low-cost alternative to traditional supercomputers. The dramatic improvements in performance (and more importantly, the ratio of price/performance) of commodity PCs, workstations, and networks have made clusters of off-the-shelf computers an attractive option for low-cost, high-performance computing. A major advantage of clusters is that since they can have any number of processors, they can be purchased using any sized budget, allowing research groups to install a cluster for their own dedicated use, and to scale up to more processors if additional funds become available. Clusters are now being built for high-energy physics simulations. Wuppertal has recently installed ALiCE, a cluster of 128 Alpha workstations running Linux, with a peak performance of 158 G flops. The Jefferson Laboratory in the US has a 16 node Alpha cluster and plans to upgrade to a 256 processor machine. In Australia, several large clusters have recently been installed. Swinburne University of Technology has a cluster of 64 Compaq Alpha workstations used for astrophysics simulations. Early this year our DHPC group constructed a cluster of 116 dual Pentium PCs (i.e. 232 processors) connected by a Fast Ethernet network, which is used by chemists at Adelaide University and Flinders University to run computational chemistry codes. The Australian National University has recently installed a similar PC cluster with 192 processors. The Centre for the Subatomic Structure of Matter (CSSM) undertakes large-scale high-energy physics calculations, mainly lattice QCD simulations. The choice of the computer and network hardware for a cluster depends on the particular applications to be run on the machine. Our
Probabilistic Simulation of Multi-Scale Composite Behavior
Chamis, Christos C.
2012-01-01
A methodology is developed to computationally assess the non-deterministic composite response at all composite scales (from micro to structural) due to the uncertainties in the constituent (fiber and matrix) properties, in the fabrication process and in structural variables (primitive variables). The methodology is computationally efficient for simulating the probability distributions of composite behavior, such as material properties, laminate and structural responses. Bi-products of the methodology are probabilistic sensitivities of the composite primitive variables. The methodology has been implemented into the computer codes PICAN (Probabilistic Integrated Composite ANalyzer) and IPACS (Integrated Probabilistic Assessment of Composite Structures). The accuracy and efficiency of this methodology are demonstrated by simulating the uncertainties in composite typical laminates and comparing the results with the Monte Carlo simulation method. Available experimental data of composite laminate behavior at all scales fall within the scatters predicted by PICAN. Multi-scaling is extended to simulate probabilistic thermo-mechanical fatigue and to simulate the probabilistic design of a composite redome in order to illustrate its versatility. Results show that probabilistic fatigue can be simulated for different temperature amplitudes and for different cyclic stress magnitudes. Results also show that laminate configurations can be selected to increase the redome reliability by several orders of magnitude without increasing the laminate thickness--a unique feature of structural composites. The old reference denotes that nothing fundamental has been done since that time.
Large-scale multimedia modeling applications
International Nuclear Information System (INIS)
Droppo, J.G. Jr.; Buck, J.W.; Whelan, G.; Strenge, D.L.; Castleton, K.J.; Gelston, G.M.
1995-08-01
Over the past decade, the US Department of Energy (DOE) and other agencies have faced increasing scrutiny for a wide range of environmental issues related to past and current practices. A number of large-scale applications have been undertaken that required analysis of large numbers of potential environmental issues over a wide range of environmental conditions and contaminants. Several of these applications, referred to here as large-scale applications, have addressed long-term public health risks using a holistic approach for assessing impacts from potential waterborne and airborne transport pathways. Multimedia models such as the Multimedia Environmental Pollutant Assessment System (MEPAS) were designed for use in such applications. MEPAS integrates radioactive and hazardous contaminants impact computations for major exposure routes via air, surface water, ground water, and overland flow transport. A number of large-scale applications of MEPAS have been conducted to assess various endpoints for environmental and human health impacts. These applications are described in terms of lessons learned in the development of an effective approach for large-scale applications
Micromagnetic computer simulations of spin waves in nanometre-scale patterned magnetic elements
International Nuclear Information System (INIS)
Kim, Sang-Koog
2010-01-01
Current needs for further advances in the nanotechnologies of information-storage and -processing devices have attracted a great deal of interest in spin (magnetization) dynamics in nanometre-scale patterned magnetic elements. For instance, the unique dynamic characteristics of non-uniform magnetic microstructures such as various types of domain walls, magnetic vortices and antivortices, as well as spin wave dynamics in laterally restricted thin-film geometries, have been at the centre of extensive and intensive researches. Understanding the fundamentals of their unique spin structure as well as their robust and novel dynamic properties allows us to implement new functionalities into existing or future devices. Although experimental tools and theoretical approaches are effective means of understanding the fundamentals of spin dynamics and of gaining new insights into them, the limitations of those same tools and approaches have left gaps of unresolved questions in the pertinent physics. As an alternative, however, micromagnetic modelling and numerical simulation has recently emerged as a powerful tool for the study of a variety of phenomena related to spin dynamics of nanometre-scale magnetic elements. In this review paper, I summarize the recent results of simulations of the excitation and propagation and other novel wave characteristics of spin waves, highlighting how the micromagnetic computer simulation approach contributes to an understanding of spin dynamics of nanomagnetism and considering some of the merits of numerical simulation studies. Many examples of micromagnetic modelling for numerical calculations, employing various dimensions and shapes of patterned magnetic elements, are given. The current limitations of continuum micromagnetic modelling and of simulations based on the Landau-Lifshitz-Gilbert equation of motion of magnetization are also discussed, along with further research directions for spin-wave studies.
Micromagnetic computer simulations of spin waves in nanometre-scale patterned magnetic elements
Kim, Sang-Koog
2010-07-01
Current needs for further advances in the nanotechnologies of information-storage and -processing devices have attracted a great deal of interest in spin (magnetization) dynamics in nanometre-scale patterned magnetic elements. For instance, the unique dynamic characteristics of non-uniform magnetic microstructures such as various types of domain walls, magnetic vortices and antivortices, as well as spin wave dynamics in laterally restricted thin-film geometries, have been at the centre of extensive and intensive researches. Understanding the fundamentals of their unique spin structure as well as their robust and novel dynamic properties allows us to implement new functionalities into existing or future devices. Although experimental tools and theoretical approaches are effective means of understanding the fundamentals of spin dynamics and of gaining new insights into them, the limitations of those same tools and approaches have left gaps of unresolved questions in the pertinent physics. As an alternative, however, micromagnetic modelling and numerical simulation has recently emerged as a powerful tool for the study of a variety of phenomena related to spin dynamics of nanometre-scale magnetic elements. In this review paper, I summarize the recent results of simulations of the excitation and propagation and other novel wave characteristics of spin waves, highlighting how the micromagnetic computer simulation approach contributes to an understanding of spin dynamics of nanomagnetism and considering some of the merits of numerical simulation studies. Many examples of micromagnetic modelling for numerical calculations, employing various dimensions and shapes of patterned magnetic elements, are given. The current limitations of continuum micromagnetic modelling and of simulations based on the Landau-Lifshitz-Gilbert equation of motion of magnetization are also discussed, along with further research directions for spin-wave studies.
Large-Scale, Multi-Sensor Atmospheric Data Fusion Using Hybrid Cloud Computing
Wilson, B. D.; Manipon, G.; Hua, H.; Fetzer, E. J.
2015-12-01
NASA's Earth Observing System (EOS) is an ambitious facility for studying global climate change. The mandate now is to combine measurements from the instruments on the "A-Train" platforms (AIRS, MODIS, MLS, and CloudSat) and other Earth probes to enable large-scale studies of climate change over decades. Moving to multi-sensor, long-duration presents serious challenges for large-scale data mining and fusion. For example, one might want to compare temperature and water vapor retrievals from one instrument (AIRS) to another (MODIS), and to a model (ECMWF), stratify the comparisons using a classification of the "cloud scenes" from CloudSat, and repeat the entire analysis over 10 years of data. HySDS is a Hybrid-Cloud Science Data System that has been developed and applied under NASA AIST, MEaSUREs, and ACCESS grants. HySDS uses the SciFlow workflow engine to partition analysis workflows into parallel tasks (e.g. segmenting by time or space) that are pushed into a durable job queue. The tasks are "pulled" from the queue by worker Virtual Machines (VM's) and executed in an on-premise Cloud (Eucalyptus or OpenStack) or at Amazon in the public Cloud or govCloud. In this way, years of data (millions of files) can be processed in a massively parallel way. Input variables (arrays) are pulled on-demand into the Cloud using OPeNDAP URLs or other subsetting services, thereby minimizing the size of the transferred data. We are using HySDS to automate the production of multiple versions of a ten-year A-Train water vapor climatology under a MEASURES grant. We will present the architecture of HySDS, describe the achieved "clock time" speedups in fusing datasets on our own nodes and in the Amazon Cloud, and discuss the Cloud cost tradeoffs for storage, compute, and data transfer. Our system demonstrates how one can pull A-Train variables (Levels 2 & 3) on-demand into the Amazon Cloud, and cache only those variables that are heavily used, so that any number of compute jobs can be
The advanced computational testing and simulation toolkit (ACTS)
International Nuclear Information System (INIS)
Drummond, L.A.; Marques, O.
2002-01-01
During the past decades there has been a continuous growth in the number of physical and societal problems that have been successfully studied and solved by means of computational modeling and simulation. Distinctively, a number of these are important scientific problems ranging in scale from the atomic to the cosmic. For example, ionization is a phenomenon as ubiquitous in modern society as the glow of fluorescent lights and the etching on silicon computer chips; but it was not until 1999 that researchers finally achieved a complete numerical solution to the simplest example of ionization, the collision of a hydrogen atom with an electron. On the opposite scale, cosmologists have long wondered whether the expansion of the Universe, which began with the Big Bang, would ever reverse itself, ending the Universe in a Big Crunch. In 2000, analysis of new measurements of the cosmic microwave background radiation showed that the geometry of the Universe is flat, and thus the Universe will continue expanding forever. Both of these discoveries depended on high performance computer simulations that utilized computational tools included in the Advanced Computational Testing and Simulation (ACTS) Toolkit. The ACTS Toolkit is an umbrella project that brought together a number of general purpose computational tool development projects funded and supported by the U.S. Department of Energy (DOE). These tools, which have been developed independently, mainly at DOE laboratories, make it easier for scientific code developers to write high performance applications for parallel computers. They tackle a number of computational issues that are common to a large number of scientific applications, mainly implementation of numerical algorithms, and support for code development, execution and optimization. The ACTS Toolkit Project enables the use of these tools by a much wider community of computational scientists, and promotes code portability, reusability, reduction of duplicate efforts
The advanced computational testing and simulation toolkit (ACTS)
Energy Technology Data Exchange (ETDEWEB)
Drummond, L.A.; Marques, O.
2002-05-21
During the past decades there has been a continuous growth in the number of physical and societal problems that have been successfully studied and solved by means of computational modeling and simulation. Distinctively, a number of these are important scientific problems ranging in scale from the atomic to the cosmic. For example, ionization is a phenomenon as ubiquitous in modern society as the glow of fluorescent lights and the etching on silicon computer chips; but it was not until 1999 that researchers finally achieved a complete numerical solution to the simplest example of ionization, the collision of a hydrogen atom with an electron. On the opposite scale, cosmologists have long wondered whether the expansion of the Universe, which began with the Big Bang, would ever reverse itself, ending the Universe in a Big Crunch. In 2000, analysis of new measurements of the cosmic microwave background radiation showed that the geometry of the Universe is flat, and thus the Universe will continue expanding forever. Both of these discoveries depended on high performance computer simulations that utilized computational tools included in the Advanced Computational Testing and Simulation (ACTS) Toolkit. The ACTS Toolkit is an umbrella project that brought together a number of general purpose computational tool development projects funded and supported by the U.S. Department of Energy (DOE). These tools, which have been developed independently, mainly at DOE laboratories, make it easier for scientific code developers to write high performance applications for parallel computers. They tackle a number of computational issues that are common to a large number of scientific applications, mainly implementation of numerical algorithms, and support for code development, execution and optimization. The ACTS Toolkit Project enables the use of these tools by a much wider community of computational scientists, and promotes code portability, reusability, reduction of duplicate efforts
The impact of the simulated large-scale atmospheric circulation on the regional climate is examined using the Weather Research and Forecasting (WRF) model as a regional climate model. The purpose is to understand the potential need for interior grid nudging for dynamical downscal...
Scale interactions in a mixing layer – the role of the large-scale gradients
Fiscaletti, D.
2016-02-15
© 2016 Cambridge University Press. The interaction between the large and the small scales of turbulence is investigated in a mixing layer, at a Reynolds number based on the Taylor microscale of , via direct numerical simulations. The analysis is performed in physical space, and the local vorticity root-mean-square (r.m.s.) is taken as a measure of the small-scale activity. It is found that positive large-scale velocity fluctuations correspond to large vorticity r.m.s. on the low-speed side of the mixing layer, whereas, they correspond to low vorticity r.m.s. on the high-speed side. The relationship between large and small scales thus depends on position if the vorticity r.m.s. is correlated with the large-scale velocity fluctuations. On the contrary, the correlation coefficient is nearly constant throughout the mixing layer and close to unity if the vorticity r.m.s. is correlated with the large-scale velocity gradients. Therefore, the small-scale activity appears closely related to large-scale gradients, while the correlation between the small-scale activity and the large-scale velocity fluctuations is shown to reflect a property of the large scales. Furthermore, the vorticity from unfiltered (small scales) and from low pass filtered (large scales) velocity fields tend to be aligned when examined within vortical tubes. These results provide evidence for the so-called \\'scale invariance\\' (Meneveau & Katz, Annu. Rev. Fluid Mech., vol. 32, 2000, pp. 1-32), and suggest that some of the large-scale characteristics are not lost at the small scales, at least at the Reynolds number achieved in the present simulation.
A Fast Synthetic Aperture Radar Raw Data Simulation Using Cloud Computing.
Li, Zhixin; Su, Dandan; Zhu, Haijiang; Li, Wei; Zhang, Fan; Li, Ruirui
2017-01-08
Synthetic Aperture Radar (SAR) raw data simulation is a fundamental problem in radar system design and imaging algorithm research. The growth of surveying swath and resolution results in a significant increase in data volume and simulation period, which can be considered to be a comprehensive data intensive and computing intensive issue. Although several high performance computing (HPC) methods have demonstrated their potential for accelerating simulation, the input/output (I/O) bottleneck of huge raw data has not been eased. In this paper, we propose a cloud computing based SAR raw data simulation algorithm, which employs the MapReduce model to accelerate the raw data computing and the Hadoop distributed file system (HDFS) for fast I/O access. The MapReduce model is designed for the irregular parallel accumulation of raw data simulation, which greatly reduces the parallel efficiency of graphics processing unit (GPU) based simulation methods. In addition, three kinds of optimization strategies are put forward from the aspects of programming model, HDFS configuration and scheduling. The experimental results show that the cloud computing based algorithm achieves 4_ speedup over the baseline serial approach in an 8-node cloud environment, and each optimization strategy can improve about 20%. This work proves that the proposed cloud algorithm is capable of solving the computing intensive and data intensive issues in SAR raw data simulation, and is easily extended to large scale computing to achieve higher acceleration.
Large scale solar district heating. Evaluation, modelling and designing
Energy Technology Data Exchange (ETDEWEB)
Heller, A.
2000-07-01
The main objective of the research was to evaluate large-scale solar heating connected to district heating (CSDHP), to build up a simulation tool and to demonstrate the application of the tool for design studies and on a local energy planning case. The evaluation of the central solar heating technology is based on measurements on the case plant in Marstal, Denmark, and on published and unpublished data for other, mainly Danish, CSDHP plants. Evaluations on the thermal, economical and environmental performances are reported, based on the experiences from the last decade. The measurements from the Marstal case are analysed, experiences extracted and minor improvements to the plant design proposed. For the detailed designing and energy planning of CSDHPs, a computer simulation model is developed and validated on the measurements from the Marstal case. The final model is then generalised to a 'generic' model for CSDHPs in general. The meteorological reference data, Danish Reference Year, is applied to find the mean performance for the plant designs. To find the expectable variety of the thermal performance of such plants, a method is proposed where data from a year with poor solar irradiation and a year with strong solar irradiation are applied. Equipped with a simulation tool design studies are carried out spreading from parameter analysis over energy planning for a new settlement to a proposal for the combination of plane solar collectors with high performance solar collectors, exemplified by a trough solar collector. The methodology of utilising computer simulation proved to be a cheap and relevant tool in the design of future solar heating plants. The thesis also exposed the demand for developing computer models for the more advanced solar collector designs and especially for the control operation of CSHPs. In the final chapter the CSHP technology is put into perspective with respect to other possible technologies to find the relevance of the application
Quality and Reliability of Large-Eddy Simulations
Meyers, Johan; Sagaut, Pierre
2008-01-01
Computational resources have developed to the level that, for the first time, it is becoming possible to apply large-eddy simulation (LES) to turbulent flow problems of realistic complexity. Many examples can be found in technology and in a variety of natural flows. This puts issues related to assessing, assuring, and predicting the quality of LES into the spotlight. Several LES studies have been published in the past, demonstrating a high level of accuracy with which turbulent flow predictions can be attained, without having to resort to the excessive requirements on computational resources imposed by direct numerical simulations. However, the setup and use of turbulent flow simulations requires a profound knowledge of fluid mechanics, numerical techniques, and the application under consideration. The susceptibility of large-eddy simulations to errors in modelling, in numerics, and in the treatment of boundary conditions, can be quite large due to nonlinear accumulation of different contributions over time, ...
Definition, modeling and simulation of a grid computing system for high throughput computing
Caron, E; Tsaregorodtsev, A Yu
2006-01-01
In this paper, we study and compare grid and global computing systems and outline the benefits of having an hybrid system called dirac. To evaluate the dirac scheduling for high throughput computing, a new model is presented and a simulator was developed for many clusters of heterogeneous nodes belonging to a local network. These clusters are assumed to be connected to each other through a global network and each cluster is managed via a local scheduler which is shared by many users. We validate our simulator by comparing the experimental and analytical results of a M/M/4 queuing system. Next, we do the comparison with a real batch system and we obtain an average error of 10.5% for the response time and 12% for the makespan. We conclude that the simulator is realistic and well describes the behaviour of a large-scale system. Thus we can study the scheduling of our system called dirac in a high throughput context. We justify our decentralized, adaptive and oppor! tunistic approach in comparison to a centralize...
U.S. Environmental Protection Agency — This dataset contains the data used in the Figures and Tables of the manuscript "Impacts of Different Characterizations of Large-Scale Background on Simulated...
Computer simulations of collisionless shock waves
International Nuclear Information System (INIS)
Leroy, M.M.
1984-01-01
A review of the contributions of particle computer simulations to the understanding of the physics of magnetic shock waves in collisionless plasmas is presented. The emphasis is on the relation between the computer simulation results, spacecraft observations of shocks in space, and related theories, rather than on technical aspects of the numerics. It is shown that much has been learned from the comparison of ISEE spacecraft observations of the terrestrial bow shock and particle computer simulations concerning the quasi-perpendicular, supercritical shock (ion scale structure, ion reflection mechanism and ultimate dissipation processes). Particle computer simulations have also had an appreciable prospective role in the investigation of the physics of quasi-parallel shocks, about which still little is known observationally. Moreover, these numerical techniques have helped to clarify the process of suprathermal ion rejection by the shock into the foreshock, and the subsequent evolution of the ions in the foreshock. 95 references
Deterministic methods for sensitivity and uncertainty analysis in large-scale computer models
International Nuclear Information System (INIS)
Worley, B.A.; Oblow, E.M.; Pin, F.G.; Maerker, R.E.; Horwedel, J.E.; Wright, R.Q.; Lucius, J.L.
1987-01-01
The fields of sensitivity and uncertainty analysis are dominated by statistical techniques when large-scale modeling codes are being analyzed. This paper reports on the development and availability of two systems, GRESS and ADGEN, that make use of computer calculus compilers to automate the implementation of deterministic sensitivity analysis capability into existing computer models. This automation removes the traditional limitation of deterministic sensitivity methods. The paper describes a deterministic uncertainty analysis method (DUA) that uses derivative information as a basis to propagate parameter probability distributions to obtain result probability distributions. The paper demonstrates the deterministic approach to sensitivity and uncertainty analysis as applied to a sample problem that models the flow of water through a borehole. The sample problem is used as a basis to compare the cumulative distribution function of the flow rate as calculated by the standard statistical methods and the DUA method. The DUA method gives a more accurate result based upon only two model executions compared to fifty executions in the statistical case
Computational approach on PEB process in EUV resist: multi-scale simulation
Kim, Muyoung; Moon, Junghwan; Choi, Joonmyung; Lee, Byunghoon; Jeong, Changyoung; Kim, Heebom; Cho, Maenghyo
2017-03-01
For decades, downsizing has been a key issue for high performance and low cost of semiconductor, and extreme ultraviolet lithography is one of the promising candidates to achieve the goal. As a predominant process in extreme ultraviolet lithography on determining resolution and sensitivity, post exposure bake has been mainly studied by experimental groups, but development of its photoresist is at the breaking point because of the lack of unveiled mechanism during the process. Herein, we provide theoretical approach to investigate underlying mechanism on the post exposure bake process in chemically amplified resist, and it covers three important reactions during the process: acid generation by photo-acid generator dissociation, acid diffusion, and deprotection. Density functional theory calculation (quantum mechanical simulation) was conducted to quantitatively predict activation energy and probability of the chemical reactions, and they were applied to molecular dynamics simulation for constructing reliable computational model. Then, overall chemical reactions were simulated in the molecular dynamics unit cell, and final configuration of the photoresist was used to predict the line edge roughness. The presented multiscale model unifies the phenomena of both quantum and atomic scales during the post exposure bake process, and it will be helpful to understand critical factors affecting the performance of the resulting photoresist and design the next-generation material.
Sreekanth, J.; Moore, Catherine
2018-04-01
The application of global sensitivity and uncertainty analysis techniques to groundwater models of deep sedimentary basins are typically challenged by large computational burdens combined with associated numerical stability issues. The highly parameterized approaches required for exploring the predictive uncertainty associated with the heterogeneous hydraulic characteristics of multiple aquifers and aquitards in these sedimentary basins exacerbate these issues. A novel Patch Modelling Methodology is proposed for improving the computational feasibility of stochastic modelling analysis of large-scale and complex groundwater models. The method incorporates a nested groundwater modelling framework that enables efficient simulation of groundwater flow and transport across multiple spatial and temporal scales. The method also allows different processes to be simulated within different model scales. Existing nested model methodologies are extended by employing 'joining predictions' for extrapolating prediction-salient information from one model scale to the next. This establishes a feedback mechanism supporting the transfer of information from child models to parent models as well as parent models to child models in a computationally efficient manner. This feedback mechanism is simple and flexible and ensures that while the salient small scale features influencing larger scale prediction are transferred back to the larger scale, this does not require the live coupling of models. This method allows the modelling of multiple groundwater flow and transport processes using separate groundwater models that are built for the appropriate spatial and temporal scales, within a stochastic framework, while also removing the computational burden associated with live model coupling. The utility of the method is demonstrated by application to an actual large scale aquifer injection scheme in Australia.
Modeling ramp compression experiments using large-scale molecular dynamics simulation.
Energy Technology Data Exchange (ETDEWEB)
Mattsson, Thomas Kjell Rene; Desjarlais, Michael Paul; Grest, Gary Stephen; Templeton, Jeremy Alan; Thompson, Aidan Patrick; Jones, Reese E.; Zimmerman, Jonathan A.; Baskes, Michael I. (University of California, San Diego); Winey, J. Michael (Washington State University); Gupta, Yogendra Mohan (Washington State University); Lane, J. Matthew D.; Ditmire, Todd (University of Texas at Austin); Quevedo, Hernan J. (University of Texas at Austin)
2011-10-01
Molecular dynamics simulation (MD) is an invaluable tool for studying problems sensitive to atomscale physics such as structural transitions, discontinuous interfaces, non-equilibrium dynamics, and elastic-plastic deformation. In order to apply this method to modeling of ramp-compression experiments, several challenges must be overcome: accuracy of interatomic potentials, length- and time-scales, and extraction of continuum quantities. We have completed a 3 year LDRD project with the goal of developing molecular dynamics simulation capabilities for modeling the response of materials to ramp compression. The techniques we have developed fall in to three categories (i) molecular dynamics methods (ii) interatomic potentials (iii) calculation of continuum variables. Highlights include the development of an accurate interatomic potential describing shock-melting of Beryllium, a scaling technique for modeling slow ramp compression experiments using fast ramp MD simulations, and a technique for extracting plastic strain from MD simulations. All of these methods have been implemented in Sandia's LAMMPS MD code, ensuring their widespread availability to dynamic materials research at Sandia and elsewhere.
Contextual Compression of Large-Scale Wind Turbine Array Simulations
Energy Technology Data Exchange (ETDEWEB)
Gruchalla, Kenny M [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Brunhart-Lupo, Nicholas J [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Potter, Kristin C [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Clyne, John [National Center for Atmospheric Research (NCAR)
2017-12-04
Data sizes are becoming a critical issue particularly for HPC applications. We have developed a user-driven lossy wavelet-based storage model to facilitate the analysis and visualization of large-scale wind turbine array simulations. The model stores data as heterogeneous blocks of wavelet coefficients, providing high-fidelity access to user-defined data regions believed the most salient, while providing lower-fidelity access to less salient regions on a block-by-block basis. In practice, by retaining the wavelet coefficients as a function of feature saliency, we have seen data reductions in excess of 94 percent, while retaining lossless information in the turbine-wake regions most critical to analysis and providing enough (low-fidelity) contextual information in the upper atmosphere to track incoming coherent turbulent structures. Our contextual wavelet compression approach has allowed us to deliver interative visual analysis while providing the user control over where data loss, and thus reduction in accuracy, in the analysis occurs. We argue this reduced but contextualized representation is a valid approach and encourages contextual data management.
Enabling parallel simulation of large-scale HPC network systems
International Nuclear Information System (INIS)
Mubarak, Misbah; Carothers, Christopher D.; Ross, Robert B.; Carns, Philip
2016-01-01
Here, with the increasing complexity of today’s high-performance computing (HPC) architectures, simulation has become an indispensable tool for exploring the design space of HPC systems—in particular, networks. In order to make effective design decisions, simulations of these systems must possess the following properties: (1) have high accuracy and fidelity, (2) produce results in a timely manner, and (3) be able to analyze a broad range of network workloads. Most state-of-the-art HPC network simulation frameworks, however, are constrained in one or more of these areas. In this work, we present a simulation framework for modeling two important classes of networks used in today’s IBM and Cray supercomputers: torus and dragonfly networks. We use the Co-Design of Multi-layer Exascale Storage Architecture (CODES) simulation framework to simulate these network topologies at a flit-level detail using the Rensselaer Optimistic Simulation System (ROSS) for parallel discrete-event simulation. Our simulation framework meets all the requirements of a practical network simulation and can assist network designers in design space exploration. First, it uses validated and detailed flit-level network models to provide an accurate and high-fidelity network simulation. Second, instead of relying on serial time-stepped or traditional conservative discrete-event simulations that limit simulation scalability and efficiency, we use the optimistic event-scheduling capability of ROSS to achieve efficient and scalable HPC network simulations on today’s high-performance cluster systems. Third, our models give network designers a choice in simulating a broad range of network workloads, including HPC application workloads using detailed network traces, an ability that is rarely offered in parallel with high-fidelity network simulations
Large-scale molecular dynamics simulations of self-assembling systems.
Klein, Michael L; Shinoda, Wataru
2008-08-08
Relentless increases in the size and performance of multiprocessor computers, coupled with new algorithms and methods, have led to novel applications of simulations across chemistry. This Perspective focuses on the use of classical molecular dynamics and so-called coarse-grain models to explore phenomena involving self-assembly in complex fluids and biological systems.
Comparing the performance of SIMD computers by running large air pollution models
DEFF Research Database (Denmark)
Brown, J.; Hansen, Per Christian; Wasniewski, J.
1996-01-01
To compare the performance and use of three massively parallel SIMD computers, we implemented a large air pollution model on these computers. Using a realistic large-scale model, we gained detailed insight about the performance of the computers involved when used to solve large-scale scientific...... problems that involve several types of numerical computations. The computers used in our study are the Connection Machines CM-200 and CM-5, and the MasPar MP-2216...
Zou, Rui; Riverson, John; Liu, Yong; Murphy, Ryan; Sim, Youn
2015-03-01
Integrated continuous simulation-optimization models can be effective predictors of a process-based responses for cost-benefit optimization of best management practices (BMPs) selection and placement. However, practical application of simulation-optimization model is computationally prohibitive for large-scale systems. This study proposes an enhanced Nonlinearity Interval Mapping Scheme (NIMS) to solve large-scale watershed simulation-optimization problems several orders of magnitude faster than other commonly used algorithms. An efficient interval response coefficient (IRC) derivation method was incorporated into the NIMS framework to overcome a computational bottleneck. The proposed algorithm was evaluated using a case study watershed in the Los Angeles County Flood Control District. Using a continuous simulation watershed/stream-transport model, Loading Simulation Program in C++ (LSPC), three nested in-stream compliance points (CP)—each with multiple Total Maximum Daily Loads (TMDL) targets—were selected to derive optimal treatment levels for each of the 28 subwatersheds, so that the TMDL targets at all the CP were met with the lowest possible BMP implementation cost. Genetic Algorithm (GA) and NIMS were both applied and compared. The results showed that the NIMS took 11 iterations (about 11 min) to complete with the resulting optimal solution having a total cost of 67.2 million, while each of the multiple GA executions took 21-38 days to reach near optimal solutions. The best solution obtained among all the GA executions compared had a minimized cost of 67.7 million—marginally higher, but approximately equal to that of the NIMS solution. The results highlight the utility for decision making in large-scale watershed simulation-optimization formulations.
Potential climatic impacts and reliability of very large-scale wind farms
Directory of Open Access Journals (Sweden)
C. Wang
2010-02-01
Full Text Available Meeting future world energy needs while addressing climate change requires large-scale deployment of low or zero greenhouse gas (GHG emission technologies such as wind energy. The widespread availability of wind power has fueled substantial interest in this renewable energy source as one of the needed technologies. For very large-scale utilization of this resource, there are however potential environmental impacts, and also problems arising from its inherent intermittency, in addition to the present need to lower unit costs. To explore some of these issues, we use a three-dimensional climate model to simulate the potential climate effects associated with installation of wind-powered generators over vast areas of land or coastal ocean. Using wind turbines to meet 10% or more of global energy demand in 2100, could cause surface warming exceeding 1 °C over land installations. In contrast, surface cooling exceeding 1 °C is computed over ocean installations, but the validity of simulating the impacts of wind turbines by simply increasing the ocean surface drag needs further study. Significant warming or cooling remote from both the land and ocean installations, and alterations of the global distributions of rainfall and clouds also occur. These results are influenced by the competing effects of increases in roughness and decreases in wind speed on near-surface turbulent heat fluxes, the differing nature of land and ocean surface friction, and the dimensions of the installations parallel and perpendicular to the prevailing winds. These results are also dependent on the accuracy of the model used, and the realism of the methods applied to simulate wind turbines. Additional theory and new field observations will be required for their ultimate validation. Intermittency of wind power on daily, monthly and longer time scales as computed in these simulations and inferred from meteorological observations, poses a demand for one or more options to ensure
Life as an emergent phenomenon: studies from a large-scale boid simulation and web data
Ikegami, Takashi; Mototake, Yoh-ichi; Kobori, Shintaro; Oka, Mizuki; Hashimoto, Yasuhiro
2017-11-01
A large group with a special structure can become the mother of emergence. We discuss this hypothesis in relation to large-scale boid simulations and web data. In the boid swarm simulations, the nucleation, organization and collapse dynamics were found to be more diverse in larger flocks than in smaller flocks. In the second analysis, large web data, consisting of shared photos with descriptive tags, tended to group together users with similar tendencies, allowing the network to develop a core-periphery structure. We show that the generation rate of novel tags and their usage frequencies are high in the higher-order cliques. In this case, novelty is not considered to arise randomly; rather, it is generated as a result of a large and structured network. We contextualize these results in terms of adjacent possible theory and as a new way to understand collective intelligence. We argue that excessive information and material flow can become a source of innovation. This article is part of the themed issue 'Reconceptualizing the origins of life'.
General-purpose parallel simulator for quantum computing
International Nuclear Information System (INIS)
Niwa, Jumpei; Matsumoto, Keiji; Imai, Hiroshi
2002-01-01
With current technologies, it seems to be very difficult to implement quantum computers with many qubits. It is therefore of importance to simulate quantum algorithms and circuits on the existing computers. However, for a large-size problem, the simulation often requires more computational power than is available from sequential processing. Therefore, simulation methods for parallel processors are required. We have developed a general-purpose simulator for quantum algorithms/circuits on the parallel computer (Sun Enterprise4500). It can simulate algorithms/circuits with up to 30 qubits. In order to test efficiency of our proposed methods, we have simulated Shor's factorization algorithm and Grover's database search, and we have analyzed robustness of the corresponding quantum circuits in the presence of both decoherence and operational errors. The corresponding results, statistics, and analyses are presented in this paper
Large-scale and Long-duration Simulation of a Multi-stage Eruptive Solar Event
Jiang, chaowei; Hu, Qiang; Wu, S. T.
2015-04-01
We employ a data-driven 3D MHD active region evolution model by using the Conservation Element and Solution Element (CESE) numerical method. This newly developed model retains the full MHD effects, allowing time-dependent boundary conditions and time evolution studies. The time-dependent simulation is driven by measured vector magnetograms and the method of MHD characteristics on the bottom boundary. We have applied the model to investigate the coronal magnetic field evolution of AR11283 which was characterized by a pre-existing sigmoid structure in the core region and multiple eruptions, both in relatively small and large scales. We have succeeded in producing the core magnetic field structure and the subsequent eruptions of flux-rope structures (see https://dl.dropboxusercontent.com/u/96898685/large.mp4 for an animation) as the measured vector magnetograms on the bottom boundary evolve in time with constant flux emergence. The whole process, lasting for about an hour in real time, compares well with the corresponding SDO/AIA and coronagraph imaging observations. From these results, we show the capability of the model, largely data-driven, that is able to simulate complex, topological, and highly dynamic active region evolutions. (We acknowledge partial support of NSF grants AGS 1153323 and AGS 1062050, and data support from SDO/HMI and AIA teams).
Computational Fluid Dynamics (CFD) Simulations of Jet Mixing in Tanks of Different Scales
Breisacher, Kevin; Moder, Jeffrey
2010-01-01
For long-duration in-space storage of cryogenic propellants, an axial jet mixer is one concept for controlling tank pressure and reducing thermal stratification. Extensive ground-test data from the 1960s to the present exist for tank diameters of 10 ft or less. The design of axial jet mixers for tanks on the order of 30 ft diameter, such as those planned for the Ares V Earth Departure Stage (EDS) LH2 tank, will require scaling of available experimental data from much smaller tanks, as well designing for microgravity effects. This study will assess the ability for Computational Fluid Dynamics (CFD) to handle a change of scale of this magnitude by performing simulations of existing ground-based axial jet mixing experiments at two tank sizes differing by a factor of ten. Simulations of several axial jet configurations for an Ares V scale EDS LH2 tank during low Earth orbit (LEO) coast are evaluated and selected results are also presented. Data from jet mixing experiments performed in the 1960s by General Dynamics with water at two tank sizes (1 and 10 ft diameter) are used to evaluate CFD accuracy. Jet nozzle diameters ranged from 0.032 to 0.25 in. for the 1 ft diameter tank experiments and from 0.625 to 0.875 in. for the 10 ft diameter tank experiments. Thermally stratified layers were created in both tanks prior to turning on the jet mixer. Jet mixer efficiency was determined by monitoring the temperatures on thermocouple rakes in the tanks to time when the stratified layer was mixed out. Dye was frequently injected into the stratified tank and its penetration recorded. There were no velocities or turbulence quantities available in the experimental data. A commercially available, time accurate, multi-dimensional CFD code with free surface tracking (FLOW-3D from Flow Science, Inc.) is used for the simulations presented. Comparisons are made between computed temperatures at various axial locations in the tank at different times and those observed experimentally. The
Generating wind fluctuations for Large Eddy Simulation inflow boundary condition
International Nuclear Information System (INIS)
Bekele, S.A.; Hangan, H.
2004-01-01
Large Eddy Simulation (LES) studies of flows over bluff bodies immersed in a boundary layer wind environment require instantaneous wind characteristics. The influences of the wind environment on the building pressure distribution are a well-established fact in the experimental study of wind engineering. Measured wind data of full or model scale are available only at a limited number of points. A method of obtaining instantaneous wind data at all mesh points of the inlet boundary for LES computation is necessary. Herein previous and new wind inflow generation techniques are presented. The generated wind data is then applied to a LES computation of a channel flow. The characteristics of the generated wind fluctuations in comparison to the measured data and the properties of the flow field computed from these two wind data are discussed. (author)
The role of large-scale, extratropical dynamics in climate change
Energy Technology Data Exchange (ETDEWEB)
Shepherd, T.G. [ed.
1994-02-01
The climate modeling community has focused recently on improving our understanding of certain processes, such as cloud feedbacks and ocean circulation, that are deemed critical to climate-change prediction. Although attention to such processes is warranted, emphasis on these areas has diminished a general appreciation of the role played by the large-scale dynamics of the extratropical atmosphere. Lack of interest in extratropical dynamics may reflect the assumption that these dynamical processes are a non-problem as far as climate modeling is concerned, since general circulation models (GCMs) calculate motions on this scale from first principles. Nevertheless, serious shortcomings in our ability to understand and simulate large-scale dynamics exist. Partly due to a paucity of standard GCM diagnostic calculations of large-scale motions and their transports of heat, momentum, potential vorticity, and moisture, a comprehensive understanding of the role of large-scale dynamics in GCM climate simulations has not been developed. Uncertainties remain in our understanding and simulation of large-scale extratropical dynamics and their interaction with other climatic processes, such as cloud feedbacks, large-scale ocean circulation, moist convection, air-sea interaction and land-surface processes. To address some of these issues, the 17th Stanstead Seminar was convened at Bishop`s University in Lennoxville, Quebec. The purpose of the Seminar was to promote discussion of the role of large-scale extratropical dynamics in global climate change. Abstracts of the talks are included in this volume. On the basis of these talks, several key issues emerged concerning large-scale extratropical dynamics and their climatic role. Individual records are indexed separately for the database.
The role of large-scale, extratropical dynamics in climate change
International Nuclear Information System (INIS)
Shepherd, T.G.
1994-02-01
The climate modeling community has focused recently on improving our understanding of certain processes, such as cloud feedbacks and ocean circulation, that are deemed critical to climate-change prediction. Although attention to such processes is warranted, emphasis on these areas has diminished a general appreciation of the role played by the large-scale dynamics of the extratropical atmosphere. Lack of interest in extratropical dynamics may reflect the assumption that these dynamical processes are a non-problem as far as climate modeling is concerned, since general circulation models (GCMs) calculate motions on this scale from first principles. Nevertheless, serious shortcomings in our ability to understand and simulate large-scale dynamics exist. Partly due to a paucity of standard GCM diagnostic calculations of large-scale motions and their transports of heat, momentum, potential vorticity, and moisture, a comprehensive understanding of the role of large-scale dynamics in GCM climate simulations has not been developed. Uncertainties remain in our understanding and simulation of large-scale extratropical dynamics and their interaction with other climatic processes, such as cloud feedbacks, large-scale ocean circulation, moist convection, air-sea interaction and land-surface processes. To address some of these issues, the 17th Stanstead Seminar was convened at Bishop's University in Lennoxville, Quebec. The purpose of the Seminar was to promote discussion of the role of large-scale extratropical dynamics in global climate change. Abstracts of the talks are included in this volume. On the basis of these talks, several key issues emerged concerning large-scale extratropical dynamics and their climatic role. Individual records are indexed separately for the database
Large eddy simulation of stably stratified turbulence
International Nuclear Information System (INIS)
Shen Zhi; Zhang Zhaoshun; Cui Guixiang; Xu Chunxiao
2011-01-01
Stably stratified turbulence is a common phenomenon in atmosphere and ocean. In this paper the large eddy simulation is utilized for investigating homogeneous stably stratified turbulence numerically at Reynolds number Re = uL/v = 10 2 ∼10 3 and Froude number Fr = u/NL = 10 −2 ∼10 0 in which u is root mean square of velocity fluctuations, L is integral scale and N is Brunt-Vaïsälä frequency. Three sets of computation cases are designed with different initial conditions, namely isotropic turbulence, Taylor Green vortex and internal waves, to investigate the statistical properties from different origins. The computed horizontal and vertical energy spectra are consistent with observation in atmosphere and ocean when the composite parameter ReFr 2 is greater than O(1). It has also been found in this paper that the stratification turbulence can be developed under different initial velocity conditions and the internal wave energy is dominated in the developed stably stratified turbulence.
Large-scale introduction of wind power stations in the Swedish grid: a simulation study
Energy Technology Data Exchange (ETDEWEB)
Larsson, L
1978-08-01
This report describes a simulation study on the factors to be considered if wind power were to be introduced to the south Swedish power grid on a large scale. The simulations are based upon a heuristic power generation planning model, developed for the purpose. The heuristic technique reflects the actual running strategies of a big power company with suitable accuracy. All simulations refer to certain typical days in 1976 to which all wind data and system characteristics are related. The installed amount of wind power will not be subject to optimization. All differences between planned and real wind power generation is equalized by regulation of the hydro power. The simulations made differ according to how the installed amount of wind power is handled in the power generation planning. The simulations indicate that the power system examined could well bear an introduction of wind power up to a level of 20% of the total power installed. This result is of course valid only for the days examined and does not necessarily apply to the present day structure of the system.
A Dynamic Optimization Strategy for the Operation of Large Scale Seawater Reverses Osmosis System
Directory of Open Access Journals (Sweden)
Aipeng Jiang
2014-01-01
Full Text Available In this work, an efficient strategy was proposed for efficient solution of the dynamic model of SWRO system. Since the dynamic model is formulated by a set of differential-algebraic equations, simultaneous strategies based on collocations on finite element were used to transform the DAOP into large scale nonlinear programming problem named Opt2. Then, simulation of RO process and storage tanks was carried element by element and step by step with fixed control variables. All the obtained values of these variables then were used as the initial value for the optimal solution of SWRO system. Finally, in order to accelerate the computing efficiency and at the same time to keep enough accuracy for the solution of Opt2, a simple but efficient finite element refinement rule was used to reduce the scale of Opt2. The proposed strategy was applied to a large scale SWRO system with 8 RO plants and 4 storage tanks as case study. Computing result shows that the proposed strategy is quite effective for optimal operation of the large scale SWRO system; the optimal problem can be successfully solved within decades of iterations and several minutes when load and other operating parameters fluctuate.
Rasthofer, U.; Wall, W. A.; Gravemeier, V.
2018-04-01
A novel and comprehensive computational method, referred to as the eXtended Algebraic Variational Multiscale-Multigrid-Multifractal Method (XAVM4), is proposed for large-eddy simulation of the particularly challenging problem of turbulent two-phase flow. The XAVM4 involves multifractal subgrid-scale modeling as well as a Nitsche-type extended finite element method as an approach for two-phase flow. The application of an advanced structural subgrid-scale modeling approach in conjunction with a sharp representation of the discontinuities at the interface between two bulk fluids promise high-fidelity large-eddy simulation of turbulent two-phase flow. The high potential of the XAVM4 is demonstrated for large-eddy simulation of turbulent two-phase bubbly channel flow, that is, turbulent channel flow carrying a single large bubble of the size of the channel half-width in this particular application.
Real time simulation of large systems on mini-computer
International Nuclear Information System (INIS)
Nakhle, Michel; Roux, Pierre.
1979-01-01
Most simulation languages will only accept an explicit formulation of differential equations, and logical variables hold no special status therein. The pace of the suggested methods of integration is limited by the smallest time constant of the model submitted. The NEPTUNIX 2 simulation software has a language that will take implicit equations and an integration method of which the variable pace is not limited by the time constants of the model. This, together with high time and memory ressources optimization of the code generated, makes NEPTUNIX 2 a basic tool for simulation on mini-computers. Since the logical variables are specific entities under centralized control, correct processing of discontinuities and synchronization with a real process are feasible. The NEPTUNIX 2 is the industrial version of NEPTUNIX 1 [fr
Golze, Dorothea; Iannuzzi, Marcella; Hutter, Jürg
2017-05-09
A local resolution-of-the-identity (LRI) approach is introduced in combination with the Gaussian and plane waves (GPW) scheme to enable large-scale Kohn-Sham density functional theory calculations. In GPW, the computational bottleneck is typically the description of the total charge density on real-space grids. Introducing the LRI approximation, the linear scaling of the GPW approach with respect to system size is retained, while the prefactor for the grid operations is reduced. The density fitting is an O(N) scaling process implemented by approximating the atomic pair densities by an expansion in one-center fit functions. The computational cost for the grid-based operations becomes negligible in LRIGPW. The self-consistent field iteration is up to 30 times faster for periodic systems dependent on the symmetry of the simulation cell and on the density of grid points. However, due to the overhead introduced by the local density fitting, single point calculations and complete molecular dynamics steps, including the calculation of the forces, are effectively accelerated by up to a factor of ∼10. The accuracy of LRIGPW is assessed for different systems and properties, showing that total energies, reaction energies, intramolecular and intermolecular structure parameters are well reproduced. LRIGPW yields also high quality results for extended condensed phase systems such as liquid water, ice XV, and molecular crystals.
Large-Scale Astrophysical Visualization on Smartphones
Becciani, U.; Massimino, P.; Costa, A.; Gheller, C.; Grillo, A.; Krokos, M.; Petta, C.
2011-07-01
Nowadays digital sky surveys and long-duration, high-resolution numerical simulations using high performance computing and grid systems produce multidimensional astrophysical datasets in the order of several Petabytes. Sharing visualizations of such datasets within communities and collaborating research groups is of paramount importance for disseminating results and advancing astrophysical research. Moreover educational and public outreach programs can benefit greatly from novel ways of presenting these datasets by promoting understanding of complex astrophysical processes, e.g., formation of stars and galaxies. We have previously developed VisIVO Server, a grid-enabled platform for high-performance large-scale astrophysical visualization. This article reviews the latest developments on VisIVO Web, a custom designed web portal wrapped around VisIVO Server, then introduces VisIVO Smartphone, a gateway connecting VisIVO Web and data repositories for mobile astrophysical visualization. We discuss current work and summarize future developments.
Local-scale high-resolution atmospheric dispersion model using large-eddy simulation. LOHDIM-LES
International Nuclear Information System (INIS)
Nakayama, Hiromasa; Nagai, Haruyasu
2016-03-01
We developed LOcal-scale High-resolution atmospheric DIspersion Model using Large-Eddy Simulation (LOHDIM-LES). This dispersion model is designed based on LES which is effective to reproduce unsteady behaviors of turbulent flows and plume dispersion. The basic equations are the continuity equation, the Navier-Stokes equation, and the scalar conservation equation. Buildings and local terrain variability are resolved by high-resolution grids with a few meters and these turbulent effects are represented by immersed boundary method. In simulating atmospheric turbulence, boundary layer flows are generated by a recycling turbulent inflow technique in a driver region set up at the upstream of the main analysis region. This turbulent inflow data are imposed at the inlet of the main analysis region. By this approach, the LOHDIM-LES can provide detailed information on wind velocities and plume concentration in the investigated area. (author)
GPU-based large-scale visualization
Hadwiger, Markus
2013-11-19
Recent advances in image and volume acquisition as well as computational advances in simulation have led to an explosion of the amount of data that must be visualized and analyzed. Modern techniques combine the parallel processing power of GPUs with out-of-core methods and data streaming to enable the interactive visualization of giga- and terabytes of image and volume data. A major enabler for interactivity is making both the computational and the visualization effort proportional to the amount of data that is actually visible on screen, decoupling it from the full data size. This leads to powerful display-aware multi-resolution techniques that enable the visualization of data of almost arbitrary size. The course consists of two major parts: An introductory part that progresses from fundamentals to modern techniques, and a more advanced part that discusses details of ray-guided volume rendering, novel data structures for display-aware visualization and processing, and the remote visualization of large online data collections. You will learn how to develop efficient GPU data structures and large-scale visualizations, implement out-of-core strategies and concepts such as virtual texturing that have only been employed recently, as well as how to use modern multi-resolution representations. These approaches reduce the GPU memory requirements of extremely large data to a working set size that fits into current GPUs. You will learn how to perform ray-casting of volume data of almost arbitrary size and how to render and process gigapixel images using scalable, display-aware techniques. We will describe custom virtual texturing architectures as well as recent hardware developments in this area. We will also describe client/server systems for distributed visualization, on-demand data processing and streaming, and remote visualization. We will describe implementations using OpenGL as well as CUDA, exploiting parallelism on GPUs combined with additional asynchronous
Parallel Earthquake Simulations on Large-Scale Multicore Supercomputers
Wu, Xingfu
2011-01-01
Earthquakes are one of the most destructive natural hazards on our planet Earth. Hugh earthquakes striking offshore may cause devastating tsunamis, as evidenced by the 11 March 2011 Japan (moment magnitude Mw9.0) and the 26 December 2004 Sumatra (Mw9.1) earthquakes. Earthquake prediction (in terms of the precise time, place, and magnitude of a coming earthquake) is arguably unfeasible in the foreseeable future. To mitigate seismic hazards from future earthquakes in earthquake-prone areas, such as California and Japan, scientists have been using numerical simulations to study earthquake rupture propagation along faults and seismic wave propagation in the surrounding media on ever-advancing modern computers over past several decades. In particular, ground motion simulations for past and future (possible) significant earthquakes have been performed to understand factors that affect ground shaking in populated areas, and to provide ground shaking characteristics and synthetic seismograms for emergency preparation and design of earthquake-resistant structures. These simulation results can guide the development of more rational seismic provisions for leading to safer, more efficient, and economical50pt]Please provide V. Taylor author e-mail ID. structures in earthquake-prone regions.
Shimojo, Fuyuki; Hattori, Shinnosuke; Kalia, Rajiv K.; Kunaseth, Manaschai; Mou, Weiwei; Nakano, Aiichiro; Nomura, Ken-ichi; Ohmura, Satoshi; Rajak, Pankaj; Shimamura, Kohei; Vashishta, Priya
2014-05-01
We introduce an extension of the divide-and-conquer (DC) algorithmic paradigm called divide-conquer-recombine (DCR) to perform large quantum molecular dynamics (QMD) simulations on massively parallel supercomputers, in which interatomic forces are computed quantum mechanically in the framework of density functional theory (DFT). In DCR, the DC phase constructs globally informed, overlapping local-domain solutions, which in the recombine phase are synthesized into a global solution encompassing large spatiotemporal scales. For the DC phase, we design a lean divide-and-conquer (LDC) DFT algorithm, which significantly reduces the prefactor of the O(N) computational cost for N electrons by applying a density-adaptive boundary condition at the peripheries of the DC domains. Our globally scalable and locally efficient solver is based on a hybrid real-reciprocal space approach that combines: (1) a highly scalable real-space multigrid to represent the global charge density; and (2) a numerically efficient plane-wave basis for local electronic wave functions and charge density within each domain. Hybrid space-band decomposition is used to implement the LDC-DFT algorithm on parallel computers. A benchmark test on an IBM Blue Gene/Q computer exhibits an isogranular parallel efficiency of 0.984 on 786 432 cores for a 50.3 × 106-atom SiC system. As a test of production runs, LDC-DFT-based QMD simulation involving 16 661 atoms is performed on the Blue Gene/Q to study on-demand production of hydrogen gas from water using LiAl alloy particles. As an example of the recombine phase, LDC-DFT electronic structures are used as a basis set to describe global photoexcitation dynamics with nonadiabatic QMD (NAQMD) and kinetic Monte Carlo (KMC) methods. The NAQMD simulations are based on the linear response time-dependent density functional theory to describe electronic excited states and a surface-hopping approach to describe transitions between the excited states. A series of techniques
International Nuclear Information System (INIS)
Shimojo, Fuyuki; Hattori, Shinnosuke; Kalia, Rajiv K.; Mou, Weiwei; Nakano, Aiichiro; Nomura, Ken-ichi; Rajak, Pankaj; Vashishta, Priya; Kunaseth, Manaschai; Ohmura, Satoshi; Shimamura, Kohei
2014-01-01
We introduce an extension of the divide-and-conquer (DC) algorithmic paradigm called divide-conquer-recombine (DCR) to perform large quantum molecular dynamics (QMD) simulations on massively parallel supercomputers, in which interatomic forces are computed quantum mechanically in the framework of density functional theory (DFT). In DCR, the DC phase constructs globally informed, overlapping local-domain solutions, which in the recombine phase are synthesized into a global solution encompassing large spatiotemporal scales. For the DC phase, we design a lean divide-and-conquer (LDC) DFT algorithm, which significantly reduces the prefactor of the O(N) computational cost for N electrons by applying a density-adaptive boundary condition at the peripheries of the DC domains. Our globally scalable and locally efficient solver is based on a hybrid real-reciprocal space approach that combines: (1) a highly scalable real-space multigrid to represent the global charge density; and (2) a numerically efficient plane-wave basis for local electronic wave functions and charge density within each domain. Hybrid space-band decomposition is used to implement the LDC-DFT algorithm on parallel computers. A benchmark test on an IBM Blue Gene/Q computer exhibits an isogranular parallel efficiency of 0.984 on 786 432 cores for a 50.3 × 10 6 -atom SiC system. As a test of production runs, LDC-DFT-based QMD simulation involving 16 661 atoms is performed on the Blue Gene/Q to study on-demand production of hydrogen gas from water using LiAl alloy particles. As an example of the recombine phase, LDC-DFT electronic structures are used as a basis set to describe global photoexcitation dynamics with nonadiabatic QMD (NAQMD) and kinetic Monte Carlo (KMC) methods. The NAQMD simulations are based on the linear response time-dependent density functional theory to describe electronic excited states and a surface-hopping approach to describe transitions between the excited states. A series of
Large Eddy Simulation of turbulence
International Nuclear Information System (INIS)
Poullet, P.; Sancandi, M.
1994-12-01
Results of Large Eddy Simulation of 3D isotropic homogeneous turbulent flows are presented. A computer code developed on Connexion Machine (CM5) has allowed to compare two turbulent viscosity models (Smagorinsky and structure function). The numerical scheme influence on the energy density spectrum is also studied [fr
Large Eddy Simulation of an SD7003 Airfoil: Effects of Reynolds number and Subgrid-scale modeling
DEFF Research Database (Denmark)
Sarlak Chivaee, Hamid
2017-01-01
This paper presents results of a series of numerical simulations in order to study aerodynamic characteristics of the low Reynolds number Selig-Donovan airfoil, SD7003. Large Eddy Simulation (LES) technique is used for all computations at chord-based Reynolds numbers 10,000, 24,000 and 60...... the Reynolds number, and the effect is visible even at a relatively low chord-Reynolds number of 60,000. Among the tested models, the dynamic Smagorinsky gives the poorest predictions of the flow, with overprediction of lift and a larger separation on airfoils suction side. Among various models, the implicit...
Large eddy simulations of compressible magnetohydrodynamic turbulence
International Nuclear Information System (INIS)
Grete, Philipp
2016-01-01
Supersonic, magnetohydrodynamic (MHD) turbulence is thought to play an important role in many processes - especially in astrophysics, where detailed three-dimensional observations are scarce. Simulations can partially fill this gap and help to understand these processes. However, direct simulations with realistic parameters are often not feasible. Consequently, large eddy simulations (LES) have emerged as a viable alternative. In LES the overall complexity is reduced by simulating only large and intermediate scales directly. The smallest scales, usually referred to as subgrid-scales (SGS), are introduced to the simulation by means of an SGS model. Thus, the overall quality of an LES with respect to properly accounting for small-scale physics crucially depends on the quality of the SGS model. While there has been a lot of successful research on SGS models in the hydrodynamic regime for decades, SGS modeling in MHD is a rather recent topic, in particular, in the compressible regime. In this thesis, we derive and validate a new nonlinear MHD SGS model that explicitly takes compressibility effects into account. A filter is used to separate the large and intermediate scales, and it is thought to mimic finite resolution effects. In the derivation, we use a deconvolution approach on the filter kernel. With this approach, we are able to derive nonlinear closures for all SGS terms in MHD: the turbulent Reynolds and Maxwell stresses, and the turbulent electromotive force (EMF). We validate the new closures both a priori and a posteriori. In the a priori tests, we use high-resolution reference data of stationary, homogeneous, isotropic MHD turbulence to compare exact SGS quantities against predictions by the closures. The comparison includes, for example, correlations of turbulent fluxes, the average dissipative behavior, and alignment of SGS vectors such as the EMF. In order to quantify the performance of the new nonlinear closure, this comparison is conducted from the
Large eddy simulations of compressible magnetohydrodynamic turbulence
Grete, Philipp
2017-02-01
Supersonic, magnetohydrodynamic (MHD) turbulence is thought to play an important role in many processes - especially in astrophysics, where detailed three-dimensional observations are scarce. Simulations can partially fill this gap and help to understand these processes. However, direct simulations with realistic parameters are often not feasible. Consequently, large eddy simulations (LES) have emerged as a viable alternative. In LES the overall complexity is reduced by simulating only large and intermediate scales directly. The smallest scales, usually referred to as subgrid-scales (SGS), are introduced to the simulation by means of an SGS model. Thus, the overall quality of an LES with respect to properly accounting for small-scale physics crucially depends on the quality of the SGS model. While there has been a lot of successful research on SGS models in the hydrodynamic regime for decades, SGS modeling in MHD is a rather recent topic, in particular, in the compressible regime. In this thesis, we derive and validate a new nonlinear MHD SGS model that explicitly takes compressibility effects into account. A filter is used to separate the large and intermediate scales, and it is thought to mimic finite resolution effects. In the derivation, we use a deconvolution approach on the filter kernel. With this approach, we are able to derive nonlinear closures for all SGS terms in MHD: the turbulent Reynolds and Maxwell stresses, and the turbulent electromotive force (EMF). We validate the new closures both a priori and a posteriori. In the a priori tests, we use high-resolution reference data of stationary, homogeneous, isotropic MHD turbulence to compare exact SGS quantities against predictions by the closures. The comparison includes, for example, correlations of turbulent fluxes, the average dissipative behavior, and alignment of SGS vectors such as the EMF. In order to quantify the performance of the new nonlinear closure, this comparison is conducted from the
DEFF Research Database (Denmark)
Heller, Alfred
2001-01-01
The main objective of the research was to evaluate large-scale solar heating connected to district heating (CSDHP), to build up a simulation tool and to demonstrate the application of the simulation tool for design studies and on a local energy planning case. The evaluation was mainly carried out...... model is designed and validated on the Marstal case. Applying the Danish Reference Year, a design tool is presented. The simulation tool is used for proposals for application of alternative designs, including high-performance solar collector types (trough solar collectors, vaccum pipe collectors......). Simulation programs are proposed as control supporting tool for daily operation and performance prediction of central solar heating plants. Finaly the CSHP technolgy is put into persepctive with respect to alternatives and a short discussion on the barries and breakthrough of the technology are given....
Lucchin, Francesco; Matarrese, Sabino; Melott, Adrian L.; Moscardini, Lauro
1994-01-01
We calculate reduced moments (xi bar)(sub q) of the matter density fluctuations, up to order q = 5, from counts in cells produced by particle-mesh numerical simulations with scale-free Gaussian initial conditions. We use power-law spectra P(k) proportional to k(exp n) with indices n = -3, -2, -1, 0, 1. Due to the supposed absence of characteristic times or scales in our models, all quantities are expected to depend on a single scaling variable. For each model, the moments at all times can be expressed in terms of the variance (xi bar)(sub 2), alone. We look for agreement with the hierarchical scaling ansatz, according to which ((xi bar)(sub q)) proportional to ((xi bar)(sub 2))(exp (q - 1)). For n less than or equal to -2 models, we find strong deviations from the hierarchy, which are mostly due to the presence of boundary problems in the simulations. A small, residual signal of deviation from the hierarchical scaling is however also found in n greater than or equal to -1 models. The wide range of spectra considered and the large dynamic range, with careful checks of scaling and shot-noise effects, allows us to reliably detect evolution away from the perturbation theory result.
International Nuclear Information System (INIS)
Miyamoto, Akira; Sato, Etsuko; Sato, Ryo; Inaba, Kenji; Hatakeyama, Nozomu
2014-01-01
In collaboration with experimental experts we have reported in the present conference (Hatakeyama, N. et al., “Experiment-integrated multi-scale, multi-physics computational chemistry simulation applied to corrosion behaviour of BWR structural materials”) the results of multi-scale multi-physics computational chemistry simulations applied to the corrosion behaviour of BWR structural materials. In macro-scale, a macroscopic simulator of anode polarization curve was developed to solve the spatially one-dimensional electrochemical equations on the material surface in continuum level in order to understand the corrosion behaviour of typical BWR structural material, SUS304. The experimental anode polarization behaviours of each pure metal were reproduced by fitting all the rates of electrochemical reactions and then the anode polarization curve of SUS304 was calculated by using the same parameters and found to reproduce the experimental behaviour successfully. In meso-scale, a kinetic Monte Carlo (KMC) simulator was applied to an actual-time simulation of the morphological corrosion behaviour under the influence of an applied voltage. In micro-scale, an ultra-accelerated quantum chemical molecular dynamics (UA-QCMD) code was applied to various metallic oxide surfaces of Fe 2 O 3 , Fe 3 O 4 , Cr 2 O 3 modelled as same as water molecules and dissolved metallic ions on the surfaces, then the dissolution and segregation behaviours were successfully simulated dynamically by using UA-QCMD. In this paper we describe details of the multi-scale, multi-physics computational chemistry method especially the UA-QCMD method. This method is approximately 10,000,000 times faster than conventional first-principles molecular dynamics methods based on density-functional theory (DFT), and the accuracy was also validated for various metals and metal oxides compared with DFT results. To assure multi-scale multi-physics computational chemistry simulation based on the UA-QCMD method for
Directory of Open Access Journals (Sweden)
L. Xiao
2013-04-01
Full Text Available The growing convergence among mobile computing device and smart sensors boosts the development of ubiquitous computing and smart spaces, where localization is an essential part to realize the big vision. The general localization methods based on GPS and cellular techniques are not suitable for tracking numerous small size and limited power objects in the indoor case. In this paper, we propose and demonstrate a new localization method, this method is an easy-setup and cost-effective indoor localization system based on off-the-shelf active RFID technology. Our system is not only compatible with the future smart spaces and ubiquitous computing systems, but also suitable for large-scale indoor localization. The use of low-complexity Gaussian Filter (GF, Wheel Graph Model (WGM and Probabilistic Localization Algorithm (PLA make the proposed algorithm robust and suitable for large-scale indoor positioning from uncertainty, self-adjective to varying indoor environment. Using MATLAB simulation, we study the system performances, especially the dependence on a number of system and environment parameters, and their statistical properties. The simulation results prove that our proposed system is an accurate and cost-effective candidate for indoor localization.
Multi-Scale Coupling Between Monte Carlo Molecular Simulation and Darcy-Scale Flow in Porous Media
Saad, Ahmed Mohamed
2016-06-01
In this work, an efficient coupling between Monte Carlo (MC) molecular simulation and Darcy-scale flow in porous media is presented. The cell centered finite difference method with non-uniform rectangular mesh were used to discretize the simulation domain and solve the governing equations. To speed up the MC simulations, we implemented a recently developed scheme that quickly generates MC Markov chains out of pre-computed ones, based on the reweighting and reconstruction algorithm. This method astonishingly reduces the required computational times by MC simulations from hours to seconds. To demonstrate the strength of the proposed coupling in terms of computational time efficiency and numerical accuracy in fluid properties, various numerical experiments covering different compressible single-phase flow scenarios were conducted. The novelty in the introduced scheme is in allowing an efficient coupling of the molecular scale and the Darcy\\'s one in reservoir simulators. This leads to an accurate description of thermodynamic behavior of the simulated reservoir fluids; consequently enhancing the confidence in the flow predictions in porous media.
Large eddy simulation of the flow through a swirl generator
Energy Technology Data Exchange (ETDEWEB)
Conway, Stephen
1998-12-01
The advances made in computer technology over recent years have led to a great increase in the engineering problems that can be studied using CFD. The computation of flows over and through complex geometries at relatively high Reynolds numbers is becoming more common using the Large Eddy Simulation (LES) technique. Direct numerical simulations of such flows is still beyond the capacity of todays fastest supercomputers, requiring excessive computational times and memory. In addition, traditional Reynolds Averaged Navier Stokes (RANS) methods are known to have limited applicability in a wide range of engineering flow situations. In this thesis LES has been used to simulate the flow through a cascade of guidance vanes, more commonly known as a swirl generator, positioned at the inlet to a gas turbine combustion chamber. This flow case is of interest because of the complex flow phenomena which occur within the swirl generator, which include compressibility effects, different types of flow instabilities, transition, laminar and turbulent separation and near wall turbulence. It is also of interest because it fits very well into the range of engineering applications that can be studied using LES. Two computational grids with different resolutions and two subgrid scale stress models were used in the study. The effects of separation and transition are investigated. A vortex shedding frequency from the guidance vanes is determined which is seen to be dependent on the angle of incident air flow. Interaction between the movement of the separation region and the shedding frequency is also noted. Such vortex shedding phenomena can directly affect the quality of fuel and air mixing within the combustion chamber and can in some cases induce vibrations in the gas turbine structure. Comparisons between the results obtained using different grid resolutions with an implicit and a dynamic divergence (DDM) subgrid scale stress models are also made 32 refs, 35 figs, 2 tabs
Hua, H.; Owen, S. E.; Yun, S. H.; Agram, P. S.; Manipon, G.; Starch, M.; Sacco, G. F.; Bue, B. D.; Dang, L. B.; Linick, J. P.; Malarout, N.; Rosen, P. A.; Fielding, E. J.; Lundgren, P.; Moore, A. W.; Liu, Z.; Farr, T.; Webb, F.; Simons, M.; Gurrola, E. M.
2017-12-01
With the increased availability of open SAR data (e.g. Sentinel-1 A/B), new challenges are being faced with processing and analyzing the voluminous SAR datasets to make geodetic measurements. Upcoming SAR missions such as NISAR are expected to generate close to 100TB per day. The Advanced Rapid Imaging and Analysis (ARIA) project can now generate geocoded unwrapped phase and coherence products from Sentinel-1 TOPS mode data in an automated fashion, using the ISCE software. This capability is currently being exercised on various study sites across the United States and around the globe, including Hawaii, Central California, Iceland and South America. The automated and large-scale SAR data processing and analysis capabilities use cloud computing techniques to speed the computations and provide scalable processing power and storage. Aspects such as how to processing these voluminous SLCs and interferograms at global scales, keeping up with the large daily SAR data volumes, and how to handle the voluminous data rates are being explored. Scene-partitioning approaches in the processing pipeline help in handling global-scale processing up to unwrapped interferograms with stitching done at a late stage. We have built an advanced science data system with rapid search functions to enable access to the derived data products. Rapid image processing of Sentinel-1 data to interferograms and time series is already being applied to natural hazards including earthquakes, floods, volcanic eruptions, and land subsidence due to fluid withdrawal. We will present the status of the ARIA science data system for generating science-ready data products and challenges that arise from being able to process SAR datasets to derived time series data products at large scales. For example, how do we perform large-scale data quality screening on interferograms? What approaches can be used to minimize compute, storage, and data movement costs for time series analysis in the cloud? We will also
Large-scale Labeled Datasets to Fuel Earth Science Deep Learning Applications
Maskey, M.; Ramachandran, R.; Miller, J.
2017-12-01
Deep learning has revolutionized computer vision and natural language processing with various algorithms scaled using high-performance computing. However, generic large-scale labeled datasets such as the ImageNet are the fuel that drives the impressive accuracy of deep learning results. Large-scale labeled datasets already exist in domains such as medical science, but creating them in the Earth science domain is a challenge. While there are ways to apply deep learning using limited labeled datasets, there is a need in the Earth sciences for creating large-scale labeled datasets for benchmarking and scaling deep learning applications. At the NASA Marshall Space Flight Center, we are using deep learning for a variety of Earth science applications where we have encountered the need for large-scale labeled datasets. We will discuss our approaches for creating such datasets and why these datasets are just as valuable as deep learning algorithms. We will also describe successful usage of these large-scale labeled datasets with our deep learning based applications.
Computational Cosmology: from the Early Universe to the Large Scale Structure
Directory of Open Access Journals (Sweden)
Peter Anninos
1998-09-01
Full Text Available In order to account for the observable Universe, any comprehensive theory or model of cosmology must draw from many disciplines of physics, including gauge theories of strong and weak interactions, the hydrodynamics and microphysics of baryonic matter, electromagnetic fields, and spacetime curvature, for example. Although it is difficult to incorporate all these physical elements into a single complete model of our Universe, advances in computing methods and technologies have contributed significantly towards our understanding of cosmological models, the Universe, and astrophysical processes within them. A sample of numerical calculations addressing specific issues in cosmology are reviewed in this article: from the Big Bang singularity dynamics to the fundamental interactions of gravitational waves; from the quark--hadron phase transition to the large scale structure of the Universe. The emphasis, although not exclusively, is on thosecalculations designed to test different models of cosmology against the observed Universe.
Computational Cosmology: From the Early Universe to the Large Scale Structure.
Anninos, Peter
2001-01-01
In order to account for the observable Universe, any comprehensive theory or model of cosmology must draw from many disciplines of physics, including gauge theories of strong and weak interactions, the hydrodynamics and microphysics of baryonic matter, electromagnetic fields, and spacetime curvature, for example. Although it is difficult to incorporate all these physical elements into a single complete model of our Universe, advances in computing methods and technologies have contributed significantly towards our understanding of cosmological models, the Universe, and astrophysical processes within them. A sample of numerical calculations (and numerical methods applied to specific issues in cosmology are reviewed in this article: from the Big Bang singularity dynamics to the fundamental interactions of gravitational waves; from the quark-hadron phase transition to the large scale structure of the Universe. The emphasis, although not exclusively, is on those calculations designed to test different models of cosmology against the observed Universe.
Parallel computing simulation of fluid flow in the unsaturated zone of Yucca Mountain, Nevada
International Nuclear Information System (INIS)
Zhang, Keni; Wu, Yu-Shu; Bodvarsson, G.S.
2001-01-01
This paper presents the application of parallel computing techniques to large-scale modeling of fluid flow in the unsaturated zone (UZ) at Yucca Mountain, Nevada. In this study, parallel computing techniques, as implemented into the TOUGH2 code, are applied in large-scale numerical simulations on a distributed-memory parallel computer. The modeling study has been conducted using an over-one-million-cell three-dimensional numerical model, which incorporates a wide variety of field data for the highly heterogeneous fractured formation at Yucca Mountain. The objective of this study is to analyze the impact of various surface infiltration scenarios (under current and possible future climates) on flow through the UZ system, using various hydrogeological conceptual models with refined grids. The results indicate that the one-million-cell models produce better resolution results and reveal some flow patterns that cannot be obtained using coarse-grid modeling models
Computational investigation of large-scale vortex interaction with flexible bodies
Connell, Benjamin; Yue, Dick K. P.
2003-11-01
The interaction of large-scale vortices with flexible bodies is examined with particular interest paid to the energy and momentum budgets of the system. Finite difference direct numerical simulation of the Navier-Stokes equations on a moving curvilinear grid is coupled with a finite difference structural solver of both a linear membrane under tension and linear Euler-Bernoulli beam. The hydrodynamics and structural dynamics are solved simultaneously using an iterative procedure with the external structural forcing calculated from the hydrodynamics at the surface and the flow-field velocity boundary condition given by the structural motion. We focus on an investigation into the canonical problem of a vortex-dipole impinging on a flexible membrane. It is discovered that the structural properties of the membrane direct the interaction in terms of the flow evolution and the energy budget. Pressure gradients associated with resonant membrane response are shown to sustain the oscillatory motion of the vortex pair. Understanding how the key mechanisms in vortex-body interactions are guided by the structural properties of the body is a prerequisite to exploiting these mechanisms.
Overview of Computer Simulation Modeling Approaches and Methods
Robert E. Manning; Robert M. Itami; David N. Cole; Randy Gimblett
2005-01-01
The field of simulation modeling has grown greatly with recent advances in computer hardware and software. Much of this work has involved large scientific and industrial applications for which substantial financial resources are available. However, advances in object-oriented programming and simulation methodology, concurrent with dramatic increases in computer...
Energy Technology Data Exchange (ETDEWEB)
Vervisch, Luc; Domingo, Pascale; Lodato, Guido [CORIA - CNRS and INSA de Rouen, Technopole du Madrillet, BP 8, 76801 Saint-Etienne-du-Rouvray (France); Veynante, Denis [EM2C - CNRS and Ecole Centrale Paris, Grande Voie des Vignes, 92295 Chatenay-Malabry (France)
2010-04-15
Large-Eddy Simulation (LES) provides space-filtered quantities to compare with measurements, which usually have been obtained using a different filtering operation; hence, numerical and experimental results can be examined side-by-side in a statistical sense only. Instantaneous, space-filtered and statistically time-averaged signals feature different characteristic length-scales, which can be combined in dimensionless ratios. From two canonical manufactured turbulent solutions, a turbulent flame and a passive scalar turbulent mixing layer, the critical values of these ratios under which measured and computed variances (resolved plus sub-grid scale) can be compared without resorting to additional residual terms are first determined. It is shown that actual Direct Numerical Simulation can hardly accommodate a sufficiently large range of length-scales to perform statistical studies of LES filtered reactive scalar-fields energy budget based on sub-grid scale variances; an estimation of the minimum Reynolds number allowing for such DNS studies is given. From these developments, a reliability mesh criterion emerges for scalar LES and scaling for scalar sub-grid scale energy is discussed. (author)
Dissecting the large-scale galactic conformity
Seo, Seongu
2018-01-01
Galactic conformity is an observed phenomenon that galaxies located in the same region have similar properties such as star formation rate, color, gas fraction, and so on. The conformity was first observed among galaxies within in the same halos (“one-halo conformity”). The one-halo conformity can be readily explained by mutual interactions among galaxies within a halo. Recent observations however further witnessed a puzzling connection among galaxies with no direct interaction. In particular, galaxies located within a sphere of ~5 Mpc radius tend to show similarities, even though the galaxies do not share common halos with each other ("two-halo conformity" or “large-scale conformity”). Using a cosmological hydrodynamic simulation, Illustris, we investigate the physical origin of the two-halo conformity and put forward two scenarios. First, back-splash galaxies are likely responsible for the large-scale conformity. They have evolved into red galaxies due to ram-pressure stripping in a given galaxy cluster and happen to reside now within a ~5 Mpc sphere. Second, galaxies in strong tidal field induced by large-scale structure also seem to give rise to the large-scale conformity. The strong tides suppress star formation in the galaxies. We discuss the importance of the large-scale conformity in the context of galaxy evolution.
Energy Technology Data Exchange (ETDEWEB)
Hasenkamp, Daren; Sim, Alexander; Wehner, Michael; Wu, Kesheng
2010-09-30
Extensive computing power has been used to tackle issues such as climate changes, fusion energy, and other pressing scientific challenges. These computations produce a tremendous amount of data; however, many of the data analysis programs currently only run a single processor. In this work, we explore the possibility of using the emerging cloud computing platform to parallelize such sequential data analysis tasks. As a proof of concept, we wrap a program for analyzing trends of tropical cyclones in a set of virtual machines (VMs). This approach allows the user to keep their familiar data analysis environment in the VMs, while we provide the coordination and data transfer services to ensure the necessary input and output are directed to the desired locations. This work extensively exercises the networking capability of the cloud computing systems and has revealed a number of weaknesses in the current cloud system software. In our tests, we are able to scale the parallel data analysis job to a modest number of VMs and achieve a speedup that is comparable to running the same analysis task using MPI. However, compared to MPI based parallelization, the cloud-based approach has a number of advantages. The cloud-based approach is more flexible because the VMs can capture arbitrary software dependencies without requiring the user to rewrite their programs. The cloud-based approach is also more resilient to failure; as long as a single VM is running, it can make progress while as soon as one MPI node fails the whole analysis job fails. In short, this initial work demonstrates that a cloud computing system is a viable platform for distributed scientific data analyses traditionally conducted on dedicated supercomputing systems.
International Nuclear Information System (INIS)
Hasenkamp, Daren; Sim, Alexander; Wehner, Michael; Wu, Kesheng
2010-01-01
Extensive computing power has been used to tackle issues such as climate changes, fusion energy, and other pressing scientific challenges. These computations produce a tremendous amount of data; however, many of the data analysis programs currently only run a single processor. In this work, we explore the possibility of using the emerging cloud computing platform to parallelize such sequential data analysis tasks. As a proof of concept, we wrap a program for analyzing trends of tropical cyclones in a set of virtual machines (VMs). This approach allows the user to keep their familiar data analysis environment in the VMs, while we provide the coordination and data transfer services to ensure the necessary input and output are directed to the desired locations. This work extensively exercises the networking capability of the cloud computing systems and has revealed a number of weaknesses in the current cloud system software. In our tests, we are able to scale the parallel data analysis job to a modest number of VMs and achieve a speedup that is comparable to running the same analysis task using MPI. However, compared to MPI based parallelization, the cloud-based approach has a number of advantages. The cloud-based approach is more flexible because the VMs can capture arbitrary software dependencies without requiring the user to rewrite their programs. The cloud-based approach is also more resilient to failure; as long as a single VM is running, it can make progress while as soon as one MPI node fails the whole analysis job fails. In short, this initial work demonstrates that a cloud computing system is a viable platform for distributed scientific data analyses traditionally conducted on dedicated supercomputing systems.
On the predictivity of pore-scale simulations: estimating uncertainties with multilevel Monte Carlo
Icardi, Matteo
2016-02-08
A fast method with tunable accuracy is proposed to estimate errors and uncertainties in pore-scale and Digital Rock Physics (DRP) problems. The overall predictivity of these studies can be, in fact, hindered by many factors including sample heterogeneity, computational and imaging limitations, model inadequacy and not perfectly known physical parameters. The typical objective of pore-scale studies is the estimation of macroscopic effective parameters such as permeability, effective diffusivity and hydrodynamic dispersion. However, these are often non-deterministic quantities (i.e., results obtained for specific pore-scale sample and setup are not totally reproducible by another “equivalent” sample and setup). The stochastic nature can arise due to the multi-scale heterogeneity, the computational and experimental limitations in considering large samples, and the complexity of the physical models. These approximations, in fact, introduce an error that, being dependent on a large number of complex factors, can be modeled as random. We propose a general simulation tool, based on multilevel Monte Carlo, that can reduce drastically the computational cost needed for computing accurate statistics of effective parameters and other quantities of interest, under any of these random errors. This is, to our knowledge, the first attempt to include Uncertainty Quantification (UQ) in pore-scale physics and simulation. The method can also provide estimates of the discretization error and it is tested on three-dimensional transport problems in heterogeneous materials, where the sampling procedure is done by generation algorithms able to reproduce realistic consolidated and unconsolidated random sphere and ellipsoid packings and arrangements. A totally automatic workflow is developed in an open-source code [2015. https://bitbucket.org/micardi/porescalemc.], that include rigid body physics and random packing algorithms, unstructured mesh discretization, finite volume solvers
Towards mechanism-based simulation of impact damage using exascale computing
Shterenlikht, Anton; Margetts, Lee; McDonald, Samuel; Bourne, Neil K.
2017-01-01
Over the past 60 years, the finite element method has been very successful in modelling deformation in engineering structures. However the method requires the definition of constitutive models that represent the response of the material to applied loads. There are two issues. Firstly, the models are often difficult to define. Secondly, there is often no physical connection between the models and the mechanisms that accommodate deformation. In this paper, we present a potentially disruptive two-level strategy which couples the finite element method at the macroscale with cellular automata at the mesoscale. The cellular automata are used to simulate mechanisms, such as crack propagation. The stress-strain relationship emerges as a continuum mechanics scale interpretation of changes at the micro- and meso-scales. Iterative two-way updating between the cellular automata and finite elements drives the simulation forward as the material undergoes progressive damage at high strain rates. The strategy is particularly attractive on large-scale computing platforms as both methods scale well on tens of thousands of CPUs.
International Nuclear Information System (INIS)
Kazuyuki, Takase; Hiroyuki, Yoshida; Hidesada, Tamai; Hajime, Akimoto; Yasuo, Ose
2003-01-01
Fluid flow characteristics in a fuel bundle of a reduced-moderation light water reactor (RMWR) with a tight-lattice core were analyzed numerically using a newly developed two-phase flow analysis code under the full bundle size condition. Conventional analysis methods such as sub-channel codes need composition equations based on the experimental data. In case that there are no experimental data regarding to the thermal-hydraulics in the tight-lattice core, therefore, it is difficult to obtain high prediction accuracy on the thermal design of the RMWR. Then the direct numerical simulations with the earth simulator were chosen. The axial velocity distribution in a fuel bundle changed sharply around a grid spacer and its quantitative evaluation was obtained from the present preliminary numerical study. The high prospect was acquired on the possibility of establishment of the thermal design procedure of the RMWR by large-scale direct simulations. (authors)
Full-Scale Approximations of Spatio-Temporal Covariance Models for Large Datasets
Zhang, Bohai
2014-01-01
Various continuously-indexed spatio-temporal process models have been constructed to characterize spatio-temporal dependence structures, but the computational complexity for model fitting and predictions grows in a cubic order with the size of dataset and application of such models is not feasible for large datasets. This article extends the full-scale approximation (FSA) approach by Sang and Huang (2012) to the spatio-temporal context to reduce computational complexity. A reversible jump Markov chain Monte Carlo (RJMCMC) algorithm is proposed to select knots automatically from a discrete set of spatio-temporal points. Our approach is applicable to nonseparable and nonstationary spatio-temporal covariance models. We illustrate the effectiveness of our method through simulation experiments and application to an ozone measurement dataset.
Choosing the best partition of the output from a large-scale simulation
Energy Technology Data Exchange (ETDEWEB)
Challacombe, Chelsea Jordan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Casleton, Emily Michele [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2017-09-26
Data partitioning becomes necessary when a large-scale simulation produces more data than can be feasibly stored. The goal is to partition the data, typically so that every element belongs to one and only one partition, and store summary information about the partition, either a representative value plus an estimate of the error or a distribution. Once the partitions are determined and the summary information stored, the raw data is discarded. This process can be performed in-situ; meaning while the simulation is running. When creating the partitions there are many decisions that researchers must make. For instance, how to determine once an adequate number of partitions have been created, how are the partitions created with respect to dividing the data, or how many variables should be considered simultaneously. In addition, decisions must be made for how to summarize the information within each partition. Because of the combinatorial number of possible ways to partition and summarize the data, a method of comparing the different possibilities will help guide researchers into choosing a good partitioning and summarization scheme for their application.
Toward real-time Monte Carlo simulation using a commercial cloud computing infrastructure.
Wang, Henry; Ma, Yunzhi; Pratx, Guillem; Xing, Lei
2011-09-07
Monte Carlo (MC) methods are the gold standard for modeling photon and electron transport in a heterogeneous medium; however, their computational cost prohibits their routine use in the clinic. Cloud computing, wherein computing resources are allocated on-demand from a third party, is a new approach for high performance computing and is implemented to perform ultra-fast MC calculation in radiation therapy. We deployed the EGS5 MC package in a commercial cloud environment. Launched from a single local computer with Internet access, a Python script allocates a remote virtual cluster. A handshaking protocol designates master and worker nodes. The EGS5 binaries and the simulation data are initially loaded onto the master node. The simulation is then distributed among independent worker nodes via the message passing interface, and the results aggregated on the local computer for display and data analysis. The described approach is evaluated for pencil beams and broad beams of high-energy electrons and photons. The output of cloud-based MC simulation is identical to that produced by single-threaded implementation. For 1 million electrons, a simulation that takes 2.58 h on a local computer can be executed in 3.3 min on the cloud with 100 nodes, a 47× speed-up. Simulation time scales inversely with the number of parallel nodes. The parallelization overhead is also negligible for large simulations. Cloud computing represents one of the most important recent advances in supercomputing technology and provides a promising platform for substantially improved MC simulation. In addition to the significant speed up, cloud computing builds a layer of abstraction for high performance parallel computing, which may change the way dose calculations are performed and radiation treatment plans are completed.
Toward real-time Monte Carlo simulation using a commercial cloud computing infrastructure
International Nuclear Information System (INIS)
Wang, Henry; Ma Yunzhi; Pratx, Guillem; Xing Lei
2011-01-01
Monte Carlo (MC) methods are the gold standard for modeling photon and electron transport in a heterogeneous medium; however, their computational cost prohibits their routine use in the clinic. Cloud computing, wherein computing resources are allocated on-demand from a third party, is a new approach for high performance computing and is implemented to perform ultra-fast MC calculation in radiation therapy. We deployed the EGS5 MC package in a commercial cloud environment. Launched from a single local computer with Internet access, a Python script allocates a remote virtual cluster. A handshaking protocol designates master and worker nodes. The EGS5 binaries and the simulation data are initially loaded onto the master node. The simulation is then distributed among independent worker nodes via the message passing interface, and the results aggregated on the local computer for display and data analysis. The described approach is evaluated for pencil beams and broad beams of high-energy electrons and photons. The output of cloud-based MC simulation is identical to that produced by single-threaded implementation. For 1 million electrons, a simulation that takes 2.58 h on a local computer can be executed in 3.3 min on the cloud with 100 nodes, a 47x speed-up. Simulation time scales inversely with the number of parallel nodes. The parallelization overhead is also negligible for large simulations. Cloud computing represents one of the most important recent advances in supercomputing technology and provides a promising platform for substantially improved MC simulation. In addition to the significant speed up, cloud computing builds a layer of abstraction for high performance parallel computing, which may change the way dose calculations are performed and radiation treatment plans are completed. (note)
Toward real-time Monte Carlo simulation using a commercial cloud computing infrastructure
Energy Technology Data Exchange (ETDEWEB)
Wang, Henry [Department of Electrical Engineering, Stanford University, Stanford, CA 94305 (United States); Ma Yunzhi; Pratx, Guillem; Xing Lei, E-mail: hwang41@stanford.edu [Department of Radiation Oncology, Stanford University School of Medicine, Stanford, CA 94305-5847 (United States)
2011-09-07
Monte Carlo (MC) methods are the gold standard for modeling photon and electron transport in a heterogeneous medium; however, their computational cost prohibits their routine use in the clinic. Cloud computing, wherein computing resources are allocated on-demand from a third party, is a new approach for high performance computing and is implemented to perform ultra-fast MC calculation in radiation therapy. We deployed the EGS5 MC package in a commercial cloud environment. Launched from a single local computer with Internet access, a Python script allocates a remote virtual cluster. A handshaking protocol designates master and worker nodes. The EGS5 binaries and the simulation data are initially loaded onto the master node. The simulation is then distributed among independent worker nodes via the message passing interface, and the results aggregated on the local computer for display and data analysis. The described approach is evaluated for pencil beams and broad beams of high-energy electrons and photons. The output of cloud-based MC simulation is identical to that produced by single-threaded implementation. For 1 million electrons, a simulation that takes 2.58 h on a local computer can be executed in 3.3 min on the cloud with 100 nodes, a 47x speed-up. Simulation time scales inversely with the number of parallel nodes. The parallelization overhead is also negligible for large simulations. Cloud computing represents one of the most important recent advances in supercomputing technology and provides a promising platform for substantially improved MC simulation. In addition to the significant speed up, cloud computing builds a layer of abstraction for high performance parallel computing, which may change the way dose calculations are performed and radiation treatment plans are completed. (note)
Large eddy simulation of particulate flow inside a differentially heated cavity
Energy Technology Data Exchange (ETDEWEB)
Bosshard, Christoph, E-mail: christoph.bosshard@a3.epfl.ch [Paul Scherrer Institut, Laboratory for Thermalhydraulics (LTH), 5232 Villigen PSI (Switzerland); Dehbi, Abdelouahab, E-mail: abdel.dehbi@psi.ch [Paul Scherrer Institut, Laboratory for Thermalhydraulics (LTH), 5232 Villigen PSI (Switzerland); Deville, Michel, E-mail: michel.deville@epfl.ch [École Polytechnique Fédérale de Lausanne, STI-DO, Station 12, 1015 Lausanne (Switzerland); Leriche, Emmanuel, E-mail: emmanuel.leriche@univ-lille1.fr [Université de Lille I, Laboratoire de Mécanique de Lille, Avenue Paul Langevin, Cité Scientifique, F-59655 Villeneuve d’Ascq Cédex (France); Soldati, Alfredo, E-mail: soldati@uniud.it [Dipartimento di Energetica e Macchine and Centro Interdipartimentale di Fluidodinamica e Idraulica, Universitá degli Studi di Udine, Udine (Italy)
2014-02-15
Highlights: • Nuclear accident leads to airborne radioactive particles in containment atmosphere. • Large eddy simulation with particles in differentially heated cavity is carried out. • LES results show negligible differences with direct numerical simulation. • Four different particle sets with diameters from 10 μm to 35 μm are tracked. • Particle removal dominated by gravity settling and turbophoresis is negligible. - Abstract: In nuclear safety, some severe accident scenarios lead to the presence of fission products in aerosol form in the closed containment atmosphere. It is important to understand the particle depletion process to estimate the risk of a release of radioactivity to the environment should a containment break occur. As a model for the containment, we use the three-dimensional differentially heated cavity problem. The differentially heated cavity is a cubical box with a hot wall and a cold wall on vertical opposite sides. On the other walls of the cube we have adiabatic boundary conditions. For the velocity field the no-slip boundary condition is applied. The flow of the air in the cavity is described by the Boussinesq equations. The method used to simulate the turbulent flow is the large eddy simulation (LES) where the dynamics of the large eddies is resolved by the computational grid and the small eddies are modelled by the introduction of subgrid scale quantities using a filter function. Particle trajectories are computed using the Lagrangian particle tracking method, including the relevant forces (drag, gravity, thermophoresis). Four different sets with each set containing one million particles and diameters of 10 μm, 15 μm, 25 μm and 35 μm are simulated. Simulation results for the flow field and particle sizes from 15 μm to 35 μm are compared to previous results from direct numerical simulation (DNS). The integration time of the LES is three times longer and the smallest particles have been simulated only in the LES. Particle
Liu, Yushi; Poh, Hee Joo
2014-11-01
The Computational Fluid Dynamics analysis has become increasingly important in modern urban planning in order to create highly livable city. This paper presents a multi-scale modeling methodology which couples Weather Research and Forecasting (WRF) Model with open source CFD simulation tool, OpenFOAM. This coupling enables the simulation of the wind flow and pollutant dispersion in urban built-up area with high resolution mesh. In this methodology meso-scale model WRF provides the boundary condition for the micro-scale CFD model OpenFOAM. The advantage is that the realistic weather condition is taken into account in the CFD simulation and complexity of building layout can be handled with ease by meshing utility of OpenFOAM. The result is validated against the Joint Urban 2003 Tracer Field Tests in Oklahoma City and there is reasonably good agreement between the CFD simulation and field observation. The coupling of WRF- OpenFOAM provide urban planners with reliable environmental modeling tool in actual urban built-up area; and it can be further extended with consideration of future weather conditions for the scenario studies on climate change impact.
International Nuclear Information System (INIS)
Niederer, J.
1983-01-01
This note outlines several ways in which large scale simulation computing and programming support may be provided to the SSC design community. One aspect of the problem is getting supercomputer power without the high cost and long lead times of large scale institutional computing. Another aspect is the blending of modern programming practices with more conventional accelerator design programs in ways that do not also swamp designers with the details of complicated computer technology
Energy Technology Data Exchange (ETDEWEB)
Guerrier, C. [Applied Mathematics and Computational Biology, IBENS, Ecole Normale Supérieure, 46 rue d' Ulm, 75005 Paris (France); Holcman, D., E-mail: david.holcman@ens.fr [Applied Mathematics and Computational Biology, IBENS, Ecole Normale Supérieure, 46 rue d' Ulm, 75005 Paris (France); Mathematical Institute, Oxford OX2 6GG, Newton Institute (United Kingdom)
2017-07-01
The main difficulty in simulating diffusion processes at a molecular level in cell microdomains is due to the multiple scales involving nano- to micrometers. Few to many particles have to be simulated and simultaneously tracked while there are exploring a large portion of the space for binding small targets, such as buffers or active sites. Bridging the small and large spatial scales is achieved by rare events representing Brownian particles finding small targets and characterized by long-time distribution. These rare events are the bottleneck of numerical simulations. A naive stochastic simulation requires running many Brownian particles together, which is computationally greedy and inefficient. Solving the associated partial differential equations is also difficult due to the time dependent boundary conditions, narrow passages and mixed boundary conditions at small windows. We present here two reduced modeling approaches for a fast computation of diffusing fluxes in microdomains. The first approach is based on a Markov mass-action law equations coupled to a Markov chain. The second is a Gillespie's method based on the narrow escape theory for coarse-graining the geometry of the domain into Poissonian rates. The main application concerns diffusion in cellular biology, where we compute as an example the distribution of arrival times of calcium ions to small hidden targets to trigger vesicular release.
International Nuclear Information System (INIS)
Guerrier, C.; Holcman, D.
2017-01-01
The main difficulty in simulating diffusion processes at a molecular level in cell microdomains is due to the multiple scales involving nano- to micrometers. Few to many particles have to be simulated and simultaneously tracked while there are exploring a large portion of the space for binding small targets, such as buffers or active sites. Bridging the small and large spatial scales is achieved by rare events representing Brownian particles finding small targets and characterized by long-time distribution. These rare events are the bottleneck of numerical simulations. A naive stochastic simulation requires running many Brownian particles together, which is computationally greedy and inefficient. Solving the associated partial differential equations is also difficult due to the time dependent boundary conditions, narrow passages and mixed boundary conditions at small windows. We present here two reduced modeling approaches for a fast computation of diffusing fluxes in microdomains. The first approach is based on a Markov mass-action law equations coupled to a Markov chain. The second is a Gillespie's method based on the narrow escape theory for coarse-graining the geometry of the domain into Poissonian rates. The main application concerns diffusion in cellular biology, where we compute as an example the distribution of arrival times of calcium ions to small hidden targets to trigger vesicular release.
Fast Bound Methods for Large Scale Simulation with Application for Engineering Optimization
Patera, Anthony T.; Peraire, Jaime; Zang, Thomas A. (Technical Monitor)
2002-01-01
In this work, we have focused on fast bound methods for large scale simulation with application for engineering optimization. The emphasis is on the development of techniques that provide both very fast turnaround and a certificate of Fidelity; these attributes ensure that the results are indeed relevant to - and trustworthy within - the engineering context. The bound methodology which underlies this work has many different instantiations: finite element approximation; iterative solution techniques; and reduced-basis (parameter) approximation. In this grant we have, in fact, treated all three, but most of our effort has been concentrated on the first and third. We describe these below briefly - but with a pointer to an Appendix which describes, in some detail, the current "state of the art."
Nussbaumer, Raphaël; Gloaguen, Erwan; Mariéthoz, Grégoire; Holliger, Klaus
2016-04-01
Bayesian sequential simulation (BSS) is a powerful geostatistical technique, which notably has shown significant potential for the assimilation of datasets that are diverse with regard to the spatial resolution and their relationship. However, these types of applications of BSS require a large number of realizations to adequately explore the solution space and to assess the corresponding uncertainties. Moreover, such simulations generally need to be performed on very fine grids in order to adequately exploit the technique's potential for characterizing heterogeneous environments. Correspondingly, the computational cost of BSS algorithms in their classical form is very high, which so far has limited an effective application of this method to large models and/or vast datasets. In this context, it is also important to note that the inherent assumption regarding the independence of the considered datasets is generally regarded as being too strong in the context of sequential simulation. To alleviate these problems, we have revisited the classical implementation of BSS and incorporated two key features to increase the computational efficiency. The first feature is a combined quadrant spiral - superblock search, which targets run-time savings on large grids and adds flexibility with regard to the selection of neighboring points using equal directional sampling and treating hard data and previously simulated points separately. The second feature is a constant path of simulation, which enhances the efficiency for multiple realizations. We have also modified the aggregation operator to be more flexible with regard to the assumption of independence of the considered datasets. This is achieved through log-linear pooling, which essentially allows for attributing weights to the various data components. Finally, a multi-grid simulating path was created to enforce large-scale variance and to allow for adapting parameters, such as, for example, the log-linear weights or the type
Computational fluid dynamics simulations and validations of results
CSIR Research Space (South Africa)
Sitek, MA
2013-09-01
Full Text Available Wind flow influence on a high-rise building is analyzed. The research covers full-scale tests, wind-tunnel experiments and numerical simulations. In the present paper computational model used in simulations is described and the results, which were...
A Coherent vorticity preserving eddy-viscosity correction for Large-Eddy Simulation
Chapelier, J.-B.; Wasistho, B.; Scalo, C.
2018-04-01
This paper introduces a new approach to Large-Eddy Simulation (LES) where subgrid-scale (SGS) dissipation is applied proportionally to the degree of local spectral broadening, hence mitigated or deactivated in regions dominated by large-scale and/or laminar vortical motion. The proposed coherent-vorticity preserving (CvP) LES methodology is based on the evaluation of the ratio of the test-filtered to resolved (or grid-filtered) enstrophy, σ. Values of σ close to 1 indicate low sub-test-filter turbulent activity, justifying local deactivation of the SGS dissipation. The intensity of the SGS dissipation is progressively increased for σ activated in developed turbulence characterized by σ ≤σeq, where the value σeq is derived assuming a Kolmogorov spectrum. The proposed approach can be applied to any eddy-viscosity model, is algorithmically simple and computationally inexpensive. LES of Taylor-Green vortex breakdown demonstrates that the CvP methodology improves the performance of traditional, non-dynamic dissipative SGS models, capturing the peak of total turbulent kinetic energy dissipation during transition. Similar accuracy is obtained by adopting Germano's dynamic procedure albeit at more than twice the computational overhead. A CvP-LES of a pair of unstable periodic helical vortices is shown to predict accurately the experimentally observed growth rate using coarse resolutions. The ability of the CvP methodology to dynamically sort the coherent, large-scale motion from the smaller, broadband scales during transition is demonstrated via flow visualizations. LES of compressible channel are carried out and show a good match with a reference DNS.
Large eddy simulations of compressible magnetohydrodynamic turbulence
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Grete, Philipp
2016-09-09
Supersonic, magnetohydrodynamic (MHD) turbulence is thought to play an important role in many processes - especially in astrophysics, where detailed three-dimensional observations are scarce. Simulations can partially fill this gap and help to understand these processes. However, direct simulations with realistic parameters are often not feasible. Consequently, large eddy simulations (LES) have emerged as a viable alternative. In LES the overall complexity is reduced by simulating only large and intermediate scales directly. The smallest scales, usually referred to as subgrid-scales (SGS), are introduced to the simulation by means of an SGS model. Thus, the overall quality of an LES with respect to properly accounting for small-scale physics crucially depends on the quality of the SGS model. While there has been a lot of successful research on SGS models in the hydrodynamic regime for decades, SGS modeling in MHD is a rather recent topic, in particular, in the compressible regime. In this thesis, we derive and validate a new nonlinear MHD SGS model that explicitly takes compressibility effects into account. A filter is used to separate the large and intermediate scales, and it is thought to mimic finite resolution effects. In the derivation, we use a deconvolution approach on the filter kernel. With this approach, we are able to derive nonlinear closures for all SGS terms in MHD: the turbulent Reynolds and Maxwell stresses, and the turbulent electromotive force (EMF). We validate the new closures both a priori and a posteriori. In the a priori tests, we use high-resolution reference data of stationary, homogeneous, isotropic MHD turbulence to compare exact SGS quantities against predictions by the closures. The comparison includes, for example, correlations of turbulent fluxes, the average dissipative behavior, and alignment of SGS vectors such as the EMF. In order to quantify the performance of the new nonlinear closure, this comparison is conducted from the
Implementation of highly parallel and large scale GW calculations within the OpenAtom software
Ismail-Beigi, Sohrab
The need to describe electronic excitations with better accuracy than provided by band structures produced by Density Functional Theory (DFT) has been a long-term enterprise for the computational condensed matter and materials theory communities. In some cases, appropriate theoretical frameworks have existed for some time but have been difficult to apply widely due to computational cost. For example, the GW approximation incorporates a great deal of important non-local and dynamical electronic interaction effects but has been too computationally expensive for routine use in large materials simulations. OpenAtom is an open source massively parallel ab initiodensity functional software package based on plane waves and pseudopotentials (http://charm.cs.uiuc.edu/OpenAtom/) that takes advantage of the Charm + + parallel framework. At present, it is developed via a three-way collaboration, funded by an NSF SI2-SSI grant (ACI-1339804), between Yale (Ismail-Beigi), IBM T. J. Watson (Glenn Martyna) and the University of Illinois at Urbana Champaign (Laxmikant Kale). We will describe the project and our current approach towards implementing large scale GW calculations with OpenAtom. Potential applications of large scale parallel GW software for problems involving electronic excitations in semiconductor and/or metal oxide systems will be also be pointed out.
Energy Technology Data Exchange (ETDEWEB)
Kelsey, Adrian [Health and Safety Laboratory, Harpur Hill, Buxton (United Kingdom)
2015-12-15
Uncertainty in model predictions of the behaviour of fires is an important issue in fire safety analysis in nuclear power plants. A global sensitivity analysis can help identify the input parameters or sub-models that have the most significant effect on model predictions. However, to perform a global sensitivity analysis using Monte Carlo sampling might require thousands of simulations to be performed and therefore would not be practical for an analysis based on a complex fire code using computational fluid dynamics (CFD). An alternative approach is to perform a global sensitivity analysis using an emulator. Gaussian process emulators can be built using a limited number of simulations and once built a global sensitivity analysis can be performed on an emulator, rather than using simulations directly. Typically reliable emulators can be built using ten simulations for each parameter under consideration, therefore allowing a global sensitivity analysis to be performed, even for a complex computer code. In this paper we use an example of a large scale pool fire to demonstrate an emulator based approach to global sensitivity analysis. In that work an emulator based global sensitivity analysis was used to identify the key uncertain model inputs affecting the entrainment rates and flame heights in large Liquefied Natural Gas (LNG) fire plumes. The pool fire simulations were performed using the Fire Dynamics Simulator (FDS) software. Five model inputs were varied: the fire diameter, burn rate, radiative fraction, computational grid cell size and choice of turbulence model. The ranges used for these parameters in the analysis were determined from experiment and literature. The Gaussian process emulators used in the analysis were created using 127 FDS simulations. The emulators were checked for reliability, and then used to perform a global sensitivity analysis and uncertainty analysis. Large-scale ignited releases of LNG on water were performed by Sandia National
International Nuclear Information System (INIS)
Lee, D.J.; Brown, D.J.
1982-01-01
The effects of large scale processing on the properties of cemented simulant sodium nitrate waste have been investigated. Leach tests have been performed on full-size drums, cores and laboratory samples of cement formulations containing Ordinary Portland Cement (OPC), Sulphate Resisting Portland Cement (SRPC) and a blended cement (90% ground granulated blast furnace slag/10% OPC). In addition, development of the cement hydration exotherms with time and the temperature distribution in 220 dm 3 samples have been followed. (author)
Large Scale Chromosome Folding Is Stable against Local Changes in Chromatin Structure.
Directory of Open Access Journals (Sweden)
Ana-Maria Florescu
2016-06-01
Full Text Available Characterizing the link between small-scale chromatin structure and large-scale chromosome folding during interphase is a prerequisite for understanding transcription. Yet, this link remains poorly investigated. Here, we introduce a simple biophysical model where interphase chromosomes are described in terms of the folding of chromatin sequences composed of alternating blocks of fibers with different thicknesses and flexibilities, and we use it to study the influence of sequence disorder on chromosome behaviors in space and time. By employing extensive computer simulations, we thus demonstrate that chromosomes undergo noticeable conformational changes only on length-scales smaller than 105 basepairs and time-scales shorter than a few seconds, and we suggest there might exist effective upper bounds to the detection of chromosome reorganization in eukaryotes. We prove the relevance of our framework by modeling recent experimental FISH data on murine chromosomes.
Dynamical properties of fractal networks: Scaling, numerical simulations, and physical realizations
International Nuclear Information System (INIS)
Nakayama, T.; Yakubo, K.; Orbach, R.L.
1994-01-01
This article describes the advances that have been made over the past ten years on the problem of fracton excitations in fractal structures. The relevant systems to this subject are so numerous that focus is limited to a specific structure, the percolating network. Recent progress has followed three directions: scaling, numerical simulations, and experiment. In a happy coincidence, large-scale computations, especially those involving array processors, have become possible in recent years. Experimental techniques such as light- and neutron-scattering experiments have also been developed. Together, they form the basis for a review article useful as a guide to understanding these developments and for charting future research directions. In addition, new numerical simulation results for the dynamical properties of diluted antiferromagnets are presented and interpreted in terms of scaling arguments. The authors hope this article will bring the major advances and future issues facing this field into clearer focus, and will stimulate further research on the dynamical properties of random systems
Computational Cosmology: from the Early Universe to the Large Scale Structure
Directory of Open Access Journals (Sweden)
Anninos Peter
2001-01-01
Full Text Available In order to account for the observable Universe, any comprehensive theory or model of cosmology must draw from many disciplines of physics, including gauge theories of strong and weak interactions, the hydrodynamics and microphysics of baryonic matter, electromagnetic fields, and spacetime curvature, for example. Although it is difficult to incorporate all these physical elements into a single complete model of our Universe, advances in computing methods and technologies have contributed significantly towards our understanding of cosmological models, the Universe, and astrophysical processes within them. A sample of numerical calculations (and numerical methods applied to specific issues in cosmology are reviewed in this article: from the Big Bang singularity dynamics to the fundamental interactions of gravitational waves; from the quark-hadron phase transition to the large scale structure of the Universe. The emphasis, although not exclusively, is on those calculations designed to test different models of cosmology against the observed Universe.
Contextual Compression of Large-Scale Wind Turbine Array Simulations: Preprint
Energy Technology Data Exchange (ETDEWEB)
Gruchalla, Kenny M [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Brunhart-Lupo, Nicholas J [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Potter, Kristin C [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Clyne, John [National Center for Atmospheric Research
2017-11-03
Data sizes are becoming a critical issue particularly for HPC applications. We have developed a user-driven lossy wavelet-based storage model to facilitate the analysis and visualization of large-scale wind turbine array simulations. The model stores data as heterogeneous blocks of wavelet coefficients, providing high-fidelity access to user-defined data regions believed the most salient, while providing lower-fidelity access to less salient regions on a block-by-block basis. In practice, by retaining the wavelet coefficients as a function of feature saliency, we have seen data reductions in excess of 94 percent, while retaining lossless information in the turbine-wake regions most critical to analysis and providing enough (low-fidelity) contextual information in the upper atmosphere to track incoming coherent turbulent structures. Our contextual wavelet compression approach has allowed us to deliver interactive visual analysis while providing the user control over where data loss, and thus reduction in accuracy, in the analysis occurs. We argue this reduced but contexualized representation is a valid approach and encourages contextual data management.
Energy Technology Data Exchange (ETDEWEB)
Funama, Yoshinori [Kumamoto University, Department of Radiological Sciences, School of Health Sciences, Kumamoto (Japan); Awai, Kazuo; Nakayama, Yoshiharu; Liu, Da; Yamashita, Yasuyuki [Kumamoto University, Department of Diagnostic Radiology, Graduate School of Medical Sciences, Kumamoto (Japan); Miyazaki, Osamu; Goto, Taiga [Hitachi Medical Corporation, Tokyo (Japan); Hori, Shinichi [Gate Tower Institute of Image Guided Therapy, Osaka (Japan)
2006-04-15
The purpose of study was to develop a computer-simulated liver phantom for hepatic CT studies. A computer-simulated liver phantom was mathematically constructed on a computer workstation. The computer-simulated phantom was calibrated using real CT images acquired by an actual four-detector CT. We added an inhomogeneous texture to the simulated liver by referring to CT images of chronically damaged human livers. The mean CT number of the simulated liver was 60 HU and we added numerous 5-to 10-mm structures with 60{+-}10 HU/mm. To mimic liver tumors we added nodules measuring 8, 10, and 12 mm in diameter with CT numbers of 60{+-}10, 60{+-}15, and 60{+-}20 HU. Five radiologists visually evaluated similarity of the texture of the computer-simulated liver phantom and a real human liver to confirm the appropriateness of the virtual liver images using a five-point scale. The total score was 44 in two radiologists, and 42, 41, and 39 in one radiologist each. They evaluated that the textures of virtual liver were comparable to those of human liver. Our computer-simulated liver phantom is a promising tool for the evaluation of the image quality and diagnostic performance of hepatic CT imaging. (orig.)
A compositional reservoir simulator on distributed memory parallel computers
International Nuclear Information System (INIS)
Rame, M.; Delshad, M.
1995-01-01
This paper presents the application of distributed memory parallel computes to field scale reservoir simulations using a parallel version of UTCHEM, The University of Texas Chemical Flooding Simulator. The model is a general purpose highly vectorized chemical compositional simulator that can simulate a wide range of displacement processes at both field and laboratory scales. The original simulator was modified to run on both distributed memory parallel machines (Intel iPSC/960 and Delta, Connection Machine 5, Kendall Square 1 and 2, and CRAY T3D) and a cluster of workstations. A domain decomposition approach has been taken towards parallelization of the code. A portion of the discrete reservoir model is assigned to each processor by a set-up routine that attempts a data layout as even as possible from the load-balance standpoint. Each of these subdomains is extended so that data can be shared between adjacent processors for stencil computation. The added routines that make parallel execution possible are written in a modular fashion that makes the porting to new parallel platforms straight forward. Results of the distributed memory computing performance of Parallel simulator are presented for field scale applications such as tracer flood and polymer flood. A comparison of the wall-clock times for same problems on a vector supercomputer is also presented
Cluster computing software for GATE simulations
International Nuclear Information System (INIS)
Beenhouwer, Jan de; Staelens, Steven; Kruecker, Dirk; Ferrer, Ludovic; D'Asseler, Yves; Lemahieu, Ignace; Rannou, Fernando R.
2007-01-01
Geometry and tracking (GEANT4) is a Monte Carlo package designed for high energy physics experiments. It is used as the basis layer for Monte Carlo simulations of nuclear medicine acquisition systems in GEANT4 Application for Tomographic Emission (GATE). GATE allows the user to realistically model experiments using accurate physics models and time synchronization for detector movement through a script language contained in a macro file. The downside of this high accuracy is long computation time. This paper describes a platform independent computing approach for running GATE simulations on a cluster of computers in order to reduce the overall simulation time. Our software automatically creates fully resolved, nonparametrized macros accompanied with an on-the-fly generated cluster specific submit file used to launch the simulations. The scalability of GATE simulations on a cluster is investigated for two imaging modalities, positron emission tomography (PET) and single photon emission computed tomography (SPECT). Due to a higher sensitivity, PET simulations are characterized by relatively high data output rates that create rather large output files. SPECT simulations, on the other hand, have lower data output rates but require a long collimator setup time. Both of these characteristics hamper scalability as a function of the number of CPUs. The scalability of PET simulations is improved here by the development of a fast output merger. The scalability of SPECT simulations is improved by greatly reducing the collimator setup time. Accordingly, these two new developments result in higher scalability for both PET and SPECT simulations and reduce the computation time to more practical values
Effect of Variable Spatial Scales on USLE-GIS Computations
Patil, R. J.; Sharma, S. K.
2017-12-01
Use of appropriate spatial scale is very important in Universal Soil Loss Equation (USLE) based spatially distributed soil erosion modelling. This study aimed at assessment of annual rates of soil erosion at different spatial scales/grid sizes and analysing how changes in spatial scales affect USLE-GIS computations using simulation and statistical variabilities. Efforts have been made in this study to recommend an optimum spatial scale for further USLE-GIS computations for management and planning in the study area. The present research study was conducted in Shakkar River watershed, situated in Narsinghpur and Chhindwara districts of Madhya Pradesh, India. Remote Sensing and GIS techniques were integrated with Universal Soil Loss Equation (USLE) to predict spatial distribution of soil erosion in the study area at four different spatial scales viz; 30 m, 50 m, 100 m, and 200 m. Rainfall data, soil map, digital elevation model (DEM) and an executable C++ program, and satellite image of the area were used for preparation of the thematic maps for various USLE factors. Annual rates of soil erosion were estimated for 15 years (1992 to 2006) at four different grid sizes. The statistical analysis of four estimated datasets showed that sediment loss dataset at 30 m spatial scale has a minimum standard deviation (2.16), variance (4.68), percent deviation from observed values (2.68 - 18.91 %), and highest coefficient of determination (R2 = 0.874) among all the four datasets. Thus, it is recommended to adopt this spatial scale for USLE-GIS computations in the study area due to its minimum statistical variability and better agreement with the observed sediment loss data. This study also indicates large scope for use of finer spatial scales in spatially distributed soil erosion modelling.
A long-term, continuous simulation approach for large-scale flood risk assessments
Falter, Daniela; Schröter, Kai; Viet Dung, Nguyen; Vorogushyn, Sergiy; Hundecha, Yeshewatesfa; Kreibich, Heidi; Apel, Heiko; Merz, Bruno
2014-05-01
The Regional Flood Model (RFM) is a process based model cascade developed for flood risk assessments of large-scale basins. RFM consists of four model parts: the rainfall-runoff model SWIM, a 1D channel routing model, a 2D hinterland inundation model and the flood loss estimation model for residential buildings FLEMOps+r. The model cascade was recently undertaken a proof-of-concept study at the Elbe catchment (Germany) to demonstrate that flood risk assessments, based on a continuous simulation approach, including rainfall-runoff, hydrodynamic and damage estimation models, are feasible for large catchments. The results of this study indicated that uncertainties are significant, especially for hydrodynamic simulations. This was basically a consequence of low data quality and disregarding dike breaches. Therefore, RFM was applied with a refined hydraulic model setup for the Elbe tributary Mulde. The study area Mulde catchment comprises about 6,000 km2 and 380 river-km. The inclusion of more reliable information on overbank cross-sections and dikes considerably improved the results. For the application of RFM for flood risk assessments, long-term climate input data is needed to drive the model chain. This model input was provided by a multi-site, multi-variate weather generator that produces sets of synthetic meteorological data reproducing the current climate statistics. The data set comprises 100 realizations of 100 years of meteorological data. With the proposed continuous simulation approach of RFM, we simulated a virtual period of 10,000 years covering the entire flood risk chain including hydrological, 1D/2D hydrodynamic and flood damage estimation models. This provided a record of around 2.000 inundation events affecting the study area with spatially detailed information on inundation depths and damage to residential buildings on a resolution of 100 m. This serves as basis for a spatially consistent, flood risk assessment for the Mulde catchment presented in
Directory of Open Access Journals (Sweden)
Koichi Kobayashi
2013-01-01
Full Text Available We propose computational techniques for model predictive control of large-scale systems with both continuous-valued control inputs and discrete-valued control inputs, which are a class of hybrid systems. In the proposed method, we introduce the notion of virtual control inputs, which are obtained by relaxing discrete-valued control inputs to continuous variables. In online computation, first, we find continuous-valued control inputs and virtual control inputs minimizing a cost function. Next, using the obtained virtual control inputs, only discrete-valued control inputs at the current time are computed in each subsystem. In addition, we also discuss the effect of quantization errors. Finally, the effectiveness of the proposed method is shown by a numerical example. The proposed method enables us to reduce and decentralize the computation load.
Directory of Open Access Journals (Sweden)
Yu Zou
2013-07-01
Full Text Available Reconciling competing desires to build urban models that can be simple and complicated is something of a grand challenge for urban simulation. It also prompts difficulties in many urban policy situations, such as urban sprawl, where simple, actionable ideas may need to be considered in the context of the messily complex and complicated urban processes and phenomena that work within cities. In this paper, we present a novel architecture for achieving both simple and complicated realizations of urban sprawl in simulation. Fine-scale simulations of sprawl geography are run using geographic automata to represent the geographical drivers of sprawl in intricate detail and over fine resolutions of space and time. We use Equation-Free computing to deploy population as a coarse observable of sprawl, which can be leveraged to run automata-based models as short-burst experiments within a meta-simulation framework.
International Nuclear Information System (INIS)
B Bello; M Junker
2006-01-01
Hydrogen production by water electrolysis represents nearly 4 % of the world hydrogen production. Future development of hydrogen vehicles will require large quantities of hydrogen. Installation of large scale hydrogen production plants will be needed. In this context, development of low cost large scale electrolysers that could use 'clean power' seems necessary. ALPHEA HYDROGEN, an European network and center of expertise on hydrogen and fuel cells, has performed for its members a study in 2005 to evaluate the potential of large scale electrolysers to produce hydrogen in the future. The different electrolysis technologies were compared. Then, a state of art of the electrolysis modules currently available was made. A review of the large scale electrolysis plants that have been installed in the world was also realized. The main projects related to large scale electrolysis were also listed. Economy of large scale electrolysers has been discussed. The influence of energy prices on the hydrogen production cost by large scale electrolysis was evaluated. (authors)
Large-Eddy Simulations of Flows in Complex Terrain
Kosovic, B.; Lundquist, K. A.
2011-12-01
Large-eddy simulation as a methodology for numerical simulation of turbulent flows was first developed to study turbulent flows in atmospheric by Lilly (1967). The first LES were carried by Deardorff (1970) who used these simulations to study atmospheric boundary layers. Ever since, LES has been extensively used to study canonical atmospheric boundary layers, in most cases flat plate boundary layers under the assumption of horizontal homogeneity. Carefully designed LES of canonical convective and neutrally stratified and more recently stably stratified atmospheric boundary layers have contributed significantly to development of better understanding of these flows and their parameterizations in large scale models. These simulations were often carried out using codes specifically designed and developed for large-eddy simulations of horizontally homogeneous flows with periodic lateral boundary conditions. Recent developments in multi-scale numerical simulations of atmospheric flows enable numerical weather prediction (NWP) codes such as ARPS (Chow and Street, 2009), COAMPS (Golaz et al., 2009) and Weather Research and Forecasting model, to be used nearly seamlessly across a wide range of atmospheric scales from synoptic down to turbulent scales in atmospheric boundary layers. Before we can with confidence carry out multi-scale simulations of atmospheric flows, NWP codes must be validated for accurate performance in simulating flows over complex or inhomogeneous terrain. We therefore carry out validation of WRF-LES for simulations of flows over complex terrain using data from Askervein Hill (Taylor and Teunissen, 1985, 1987) and METCRAX (Whiteman et al., 2008) field experiments. WRF's nesting capability is employed with a one-way nested inner domain that includes complex terrain representation while the coarser outer nest is used to spin up fully developed atmospheric boundary layer turbulence and thus represent accurately inflow to the inner domain. LES of a
Coupled climate model simulations of Mediterranean winter cyclones and large-scale flow patterns
Directory of Open Access Journals (Sweden)
B. Ziv
2013-03-01
Full Text Available The study aims to evaluate the ability of global, coupled climate models to reproduce the synoptic regime of the Mediterranean Basin. The output of simulations of the 9 models included in the IPCC CMIP3 effort is compared to the NCEP-NCAR reanalyzed data for the period 1961–1990. The study examined the spatial distribution of cyclone occurrence, the mean Mediterranean upper- and lower-level troughs, the inter-annual variation and trend in the occurrence of the Mediterranean cyclones, and the main large-scale circulation patterns, represented by rotated EOFs of 500 hPa and sea level pressure. The models reproduce successfully the two maxima in cyclone density in the Mediterranean and their locations, the location of the average upper- and lower-level troughs, the relative inter-annual variation in cyclone occurrences and the structure of the four leading large scale EOFs. The main discrepancy is the models' underestimation of the cyclone density in the Mediterranean, especially in its western part. The models' skill in reproducing the cyclone distribution is found correlated with their spatial resolution, especially in the vertical. The current improvement in model spatial resolution suggests that their ability to reproduce the Mediterranean cyclones would be improved as well.
Energy Technology Data Exchange (ETDEWEB)
Sidles, John A; Jacky, Jonathan P [Department of Orthopaedics and Sports Medicine, Box 356500, School of Medicine, University of Washington, Seattle, WA, 98195 (United States); Garbini, Joseph L; Malcomb, Joseph R; Williamson, Austin M [Department of Mechanical Engineering, University of Washington, Seattle, WA 98195 (United States); Harrell, Lee E [Department of Physics, US Military Academy, West Point, NY 10996 (United States); Hero, Alfred O [Department of Electrical Engineering, University of Michigan, MI 49931 (United States); Norman, Anthony G [Department of Bioengineering, University of Washington, Seattle, WA 98195 (United States)], E-mail: sidles@u.washington.edu
2009-06-15
Practical recipes are presented for simulating high-temperature and nonequilibrium quantum spin systems that are continuously measured and controlled. The notion of a spin system is broadly conceived, in order to encompass macroscopic test masses as the limiting case of large-j spins. The simulation technique has three stages: first the deliberate introduction of noise into the simulation, then the conversion of that noise into an equivalent continuous measurement and control process, and finally, projection of the trajectory onto state-space manifolds having reduced dimensionality and possessing a Kaehler potential of multilinear algebraic form. These state-spaces can be regarded as ruled algebraic varieties upon which a projective quantum model order reduction (MOR) is performed. The Riemannian sectional curvature of ruled Kaehlerian varieties is analyzed, and proved to be non-positive upon all sections that contain a rule. These manifolds are shown to contain Slater determinants as a special case and their identity with Grassmannian varieties is demonstrated. The resulting simulation formalism is used to construct a positive P-representation for the thermal density matrix. Single-spin detection by magnetic resonance force microscopy (MRFM) is simulated, and the data statistics are shown to be those of a random telegraph signal with additive white noise. Larger-scale spin-dust models are simulated, having no spatial symmetry and no spatial ordering; the high-fidelity projection of numerically computed quantum trajectories onto low dimensionality Kaehler state-space manifolds is demonstrated. The reconstruction of quantum trajectories from sparse random projections is demonstrated, the onset of Donoho-Stodden breakdown at the Candes-Tao sparsity limit is observed, a deterministic construction for sampling matrices is given and methods for quantum state optimization by Dantzig selection are given.
International Nuclear Information System (INIS)
Sidles, John A; Jacky, Jonathan P; Garbini, Joseph L; Malcomb, Joseph R; Williamson, Austin M; Harrell, Lee E; Hero, Alfred O; Norman, Anthony G
2009-01-01
Practical recipes are presented for simulating high-temperature and nonequilibrium quantum spin systems that are continuously measured and controlled. The notion of a spin system is broadly conceived, in order to encompass macroscopic test masses as the limiting case of large-j spins. The simulation technique has three stages: first the deliberate introduction of noise into the simulation, then the conversion of that noise into an equivalent continuous measurement and control process, and finally, projection of the trajectory onto state-space manifolds having reduced dimensionality and possessing a Kaehler potential of multilinear algebraic form. These state-spaces can be regarded as ruled algebraic varieties upon which a projective quantum model order reduction (MOR) is performed. The Riemannian sectional curvature of ruled Kaehlerian varieties is analyzed, and proved to be non-positive upon all sections that contain a rule. These manifolds are shown to contain Slater determinants as a special case and their identity with Grassmannian varieties is demonstrated. The resulting simulation formalism is used to construct a positive P-representation for the thermal density matrix. Single-spin detection by magnetic resonance force microscopy (MRFM) is simulated, and the data statistics are shown to be those of a random telegraph signal with additive white noise. Larger-scale spin-dust models are simulated, having no spatial symmetry and no spatial ordering; the high-fidelity projection of numerically computed quantum trajectories onto low dimensionality Kaehler state-space manifolds is demonstrated. The reconstruction of quantum trajectories from sparse random projections is demonstrated, the onset of Donoho-Stodden breakdown at the Candes-Tao sparsity limit is observed, a deterministic construction for sampling matrices is given and methods for quantum state optimization by Dantzig selection are given.
Sidles, John A.; Garbini, Joseph L.; Harrell, Lee E.; Hero, Alfred O.; Jacky, Jonathan P.; Malcomb, Joseph R.; Norman, Anthony G.; Williamson, Austin M.
2009-06-01
Practical recipes are presented for simulating high-temperature and nonequilibrium quantum spin systems that are continuously measured and controlled. The notion of a spin system is broadly conceived, in order to encompass macroscopic test masses as the limiting case of large-j spins. The simulation technique has three stages: first the deliberate introduction of noise into the simulation, then the conversion of that noise into an equivalent continuous measurement and control process, and finally, projection of the trajectory onto state-space manifolds having reduced dimensionality and possessing a Kähler potential of multilinear algebraic form. These state-spaces can be regarded as ruled algebraic varieties upon which a projective quantum model order reduction (MOR) is performed. The Riemannian sectional curvature of ruled Kählerian varieties is analyzed, and proved to be non-positive upon all sections that contain a rule. These manifolds are shown to contain Slater determinants as a special case and their identity with Grassmannian varieties is demonstrated. The resulting simulation formalism is used to construct a positive P-representation for the thermal density matrix. Single-spin detection by magnetic resonance force microscopy (MRFM) is simulated, and the data statistics are shown to be those of a random telegraph signal with additive white noise. Larger-scale spin-dust models are simulated, having no spatial symmetry and no spatial ordering; the high-fidelity projection of numerically computed quantum trajectories onto low dimensionality Kähler state-space manifolds is demonstrated. The reconstruction of quantum trajectories from sparse random projections is demonstrated, the onset of Donoho-Stodden breakdown at the Candès-Tao sparsity limit is observed, a deterministic construction for sampling matrices is given and methods for quantum state optimization by Dantzig selection are given.
Casu, F.; Bonano, M.; de Luca, C.; Lanari, R.; Manunta, M.; Manzo, M.; Zinno, I.
2017-12-01
Since its launch in 2014, the Sentinel-1 (S1) constellation has played a key role on SAR data availability and dissemination all over the World. Indeed, the free and open access data policy adopted by the European Copernicus program together with the global coverage acquisition strategy, make the Sentinel constellation as a game changer in the Earth Observation scenario. Being the SAR data become ubiquitous, the technological and scientific challenge is focused on maximizing the exploitation of such huge data flow. In this direction, the use of innovative processing algorithms and distributed computing infrastructures, such as the Cloud Computing platforms, can play a crucial role. In this work we present a Cloud Computing solution for the advanced interferometric (DInSAR) processing chain based on the Parallel SBAS (P-SBAS) approach, aimed at processing S1 Interferometric Wide Swath (IWS) data for the generation of large spatial scale deformation time series in efficient, automatic and systematic way. Such a DInSAR chain ingests Sentinel 1 SLC images and carries out several processing steps, to finally compute deformation time series and mean deformation velocity maps. Different parallel strategies have been designed ad hoc for each processing step of the P-SBAS S1 chain, encompassing both multi-core and multi-node programming techniques, in order to maximize the computational efficiency achieved within a Cloud Computing environment and cut down the relevant processing times. The presented P-SBAS S1 processing chain has been implemented on the Amazon Web Services platform and a thorough analysis of the attained parallel performances has been performed to identify and overcome the major bottlenecks to the scalability. The presented approach is used to perform national-scale DInSAR analyses over Italy, involving the processing of more than 3000 S1 IWS images acquired from both ascending and descending orbits. Such an experiment confirms the big advantage of
Tang, S.; Xie, S.; Tang, Q.; Zhang, Y.
2017-12-01
Two types of instruments, the eddy correlation flux measurement system (ECOR) and the energy balance Bowen ratio system (EBBR), are used at the Atmospheric Radiation Measurement (ARM) program Southern Great Plains (SGP) site to measure surface latent and sensible fluxes. ECOR and EBBR typically sample different land surface types, and the domain-mean surface fluxes derived from ECOR and EBBR are not always consistent. The uncertainties of the surface fluxes will have impacts on the derived large-scale forcing data and further affect the simulations of single-column models (SCM), cloud-resolving models (CRM) and large-eddy simulation models (LES), especially for the shallow-cumulus clouds which are mainly driven by surface forcing. This study aims to quantify the uncertainties of the large-scale forcing caused by surface turbulence flux measurements and investigate the impacts on cloud simulations using long-term observations from the ARM SGP site.
Fita, L.; Evans, J. P.; Argüeso, D.; King, A.; Liu, Y.
2017-10-01
NARCliM (New South Wales (NSW)/Australian Capital Territory (ACT) Regional Climate Modelling project) is a regional climate modeling project for the Australian area. It is providing a comprehensive dynamically downscaled climate dataset for the CORDEX-AustralAsia region at 50-km resolution, and south-East Australia at a resolution of 10 km. The first phase of NARCliM produced 60-year long reanalysis driven regional simulations to allow evaluation of the regional model performance. This long control period (1950-2009) was used so that the model ability to capture the impact of large scale climate modes on Australian climate could be examined. Simulations are evaluated using a gridded observational dataset. Results show that using model independence as a criteria for choosing atmospheric model configuration from different possible sets of parameterizations may contribute to the regional climate models having different overall biases. The regional models generally capture the regional climate response to large-scale modes better than the driving reanalysis, though no regional model improves on all aspects of the simulated climate.
Extreme Scale Computing to Secure the Nation
Energy Technology Data Exchange (ETDEWEB)
Brown, D L; McGraw, J R; Johnson, J R; Frincke, D
2009-11-10
absence of nuclear testing, a progam to: (1) Support a focused, multifaceted program to increase the understanding of the enduring stockpile; (2) Predict, detect, and evaluate potential problems of the aging of the stockpile; (3) Refurbish and re-manufacture weapons and components, as required; and (4) Maintain the science and engineering institutions needed to support the nation's nuclear deterrent, now and in the future'. This program continues to fulfill its national security mission by adding significant new capabilities for producing scientific results through large-scale computational simulation coupled with careful experimentation, including sub-critical nuclear experiments permitted under the CTBT. To develop the computational science and the computational horsepower needed to support its mission, SBSS initiated the Accelerated Strategic Computing Initiative, later renamed the Advanced Simulation & Computing (ASC) program (sidebar: 'History of ASC Computing Program Computing Capability'). The modern 3D computational simulation capability of the ASC program supports the assessment and certification of the current nuclear stockpile through calibration with past underground test (UGT) data. While an impressive accomplishment, continued evolution of national security mission requirements will demand computing resources at a significantly greater scale than we have today. In particular, continued observance and potential Senate confirmation of the Comprehensive Test Ban Treaty (CTBT) together with the U.S administration's promise for a significant reduction in the size of the stockpile and the inexorable aging and consequent refurbishment of the stockpile all demand increasing refinement of our computational simulation capabilities. Assessment of the present and future stockpile with increased confidence of the safety and reliability without reliance upon calibration with past or future test data is a long-term goal of the ASC program. This
Energy Technology Data Exchange (ETDEWEB)
Liang, Z.; Chin, Y.S. [Atomic Energy of Canada Limited, Chalk River, ON (Canada)
2014-07-01
This paper compares containment thermal-hydraulics simulations performed using GOTHIC against a past test set of large scale buoyancy induced helium-air-steam mixing experiments that had been performed at the AECL's Chalk River Laboratories. A number of typical post-accident containment phenomena, including thermal/gas stratification, natural convection, cool air entrainment, steam condensation on concrete walls and active local air cooler, were covered. The results provide useful insights into hydrogen gas mixing behaviour following a loss-of-coolant accident and demonstrate GOTHIC's capability in simulating these phenomena. (author)
International Nuclear Information System (INIS)
Liang, Z.; Chin, Y.S.
2014-01-01
This paper compares containment thermal-hydraulics simulations performed using GOTHIC against a past test set of large scale buoyancy induced helium-air-steam mixing experiments that had been performed at the AECL's Chalk River Laboratories. A number of typical post-accident containment phenomena, including thermal/gas stratification, natural convection, cool air entrainment, steam condensation on concrete walls and active local air cooler, were covered. The results provide useful insights into hydrogen gas mixing behaviour following a loss-of-coolant accident and demonstrate GOTHIC's capability in simulating these phenomena. (author)
Improving the Performance of the Extreme-scale Simulator
Energy Technology Data Exchange (ETDEWEB)
Engelmann, Christian [ORNL; Naughton III, Thomas J [ORNL
2014-01-01
Investigating the performance of parallel applications at scale on future high-performance computing (HPC) architectures and the performance impact of different architecture choices is an important component of HPC hardware/software co-design. The Extreme-scale Simulator (xSim) is a simulation-based toolkit for investigating the performance of parallel applications at scale. xSim scales to millions of simulated Message Passing Interface (MPI) processes. The overhead introduced by a simulation tool is an important performance and productivity aspect. This paper documents two improvements to xSim: (1) a new deadlock resolution protocol to reduce the parallel discrete event simulation management overhead and (2) a new simulated MPI message matching algorithm to reduce the oversubscription management overhead. The results clearly show a significant performance improvement, such as by reducing the simulation overhead for running the NAS Parallel Benchmark suite inside the simulator from 1,020\\% to 238% for the conjugate gradient (CG) benchmark and from 102% to 0% for the embarrassingly parallel (EP) and benchmark, as well as, from 37,511% to 13,808% for CG and from 3,332% to 204% for EP with accurate process failure simulation.
Report of the Working Group on Large-Scale Computing in Aeronautics.
1984-06-01
function and the use of drawings. In the hardware area, comtemporary large computer installations are quite powerful in terms of speed of computation as...critical to the competitive advantage of that member. He might then be willing to make them available to less advanced members under some business
Polymer Composites Corrosive Degradation: A Computational Simulation
Chamis, Christos C.; Minnetyan, Levon
2007-01-01
A computational simulation of polymer composites corrosive durability is presented. The corrosive environment is assumed to manage the polymer composite degradation on a ply-by-ply basis. The degradation is correlated with a measured pH factor and is represented by voids, temperature and moisture which vary parabolically for voids and linearly for temperature and moisture through the laminate thickness. The simulation is performed by a computational composite mechanics computer code which includes micro, macro, combined stress failure and laminate theories. This accounts for starting the simulation from constitutive material properties and up to the laminate scale which exposes the laminate to the corrosive environment. Results obtained for one laminate indicate that the ply-by-ply degradation degrades the laminate to the last one or the last several plies. Results also demonstrate that the simulation is applicable to other polymer composite systems as well.
A study on a nano-scale materials simulation using a PC cluster
International Nuclear Information System (INIS)
Choi, Deok Kee; Ryu, Han Kyu
2002-01-01
Not a few scientists have paid attention to application of molecular dynamics to chemistry, biology and physics. With recent popularity of nano technology, nano-scale analysis has become a major subject in various engineering fields. A underlying nano scale analysis is based on classical molecular theories representing molecular dynamics. Based on Newton's law of motions of particles, the movement of each particles is to be determined by numerical integrations. As the size of computation is closely related with the number of molecules, materials simulation takes up huge amount of computer resources so that it is not until recent days that the application of molecular dynamics to materials simulations draw some attention from many researchers. Thanks to high-performance computers, materials simulation via molecular dynamics looks promising. In this study, a PC cluster consisting of multiple commodity PCs is established and nano scale materials simulations are carried out. Micro-sized crack propagation inside a nano material is displayed by the simulation
Contact area of rough spheres: Large scale simulations and simple scaling laws
Energy Technology Data Exchange (ETDEWEB)
Pastewka, Lars, E-mail: lars.pastewka@kit.edu [Institute for Applied Materials & MicroTribology Center muTC, Karlsruhe Institute of Technology, Engelbert-Arnold-Straße 4, 76131 Karlsruhe (Germany); Department of Physics and Astronomy, Johns Hopkins University, 3400 North Charles Street, Baltimore, Maryland 21218 (United States); Robbins, Mark O., E-mail: mr@pha.jhu.edu [Department of Physics and Astronomy, Johns Hopkins University, 3400 North Charles Street, Baltimore, Maryland 21218 (United States)
2016-05-30
We use molecular simulations to study the nonadhesive and adhesive atomic-scale contact of rough spheres with radii ranging from nanometers to micrometers over more than ten orders of magnitude in applied normal load. At the lowest loads, the interfacial mechanics is governed by the contact mechanics of the first asperity that touches. The dependence of contact area on normal force becomes linear at intermediate loads and crosses over to Hertzian at the largest loads. By combining theories for the limiting cases of nominally flat rough surfaces and smooth spheres, we provide parameter-free analytical expressions for contact area over the whole range of loads. Our results establish a range of validity for common approximations that neglect curvature or roughness in modeling objects on scales from atomic force microscope tips to ball bearings.
Contact area of rough spheres: Large scale simulations and simple scaling laws
Pastewka, Lars; Robbins, Mark O.
2016-05-01
We use molecular simulations to study the nonadhesive and adhesive atomic-scale contact of rough spheres with radii ranging from nanometers to micrometers over more than ten orders of magnitude in applied normal load. At the lowest loads, the interfacial mechanics is governed by the contact mechanics of the first asperity that touches. The dependence of contact area on normal force becomes linear at intermediate loads and crosses over to Hertzian at the largest loads. By combining theories for the limiting cases of nominally flat rough surfaces and smooth spheres, we provide parameter-free analytical expressions for contact area over the whole range of loads. Our results establish a range of validity for common approximations that neglect curvature or roughness in modeling objects on scales from atomic force microscope tips to ball bearings.
[Adverse Effect Predictions Based on Computational Toxicology Techniques and Large-scale Databases].
Uesawa, Yoshihiro
2018-01-01
Understanding the features of chemical structures related to the adverse effects of drugs is useful for identifying potential adverse effects of new drugs. This can be based on the limited information available from post-marketing surveillance, assessment of the potential toxicities of metabolites and illegal drugs with unclear characteristics, screening of lead compounds at the drug discovery stage, and identification of leads for the discovery of new pharmacological mechanisms. This present paper describes techniques used in computational toxicology to investigate the content of large-scale spontaneous report databases of adverse effects, and it is illustrated with examples. Furthermore, volcano plotting, a new visualization method for clarifying the relationships between drugs and adverse effects via comprehensive analyses, will be introduced. These analyses may produce a great amount of data that can be applied to drug repositioning.
What Works Clearinghouse, 2014
2014-01-01
The 2014 study, "Conceptualizing Astronomical Scale: Virtual Simulations on Handheld Tablet Computers Reverse Misconceptions," examined the effects of using the true-to-scale (TTS) display mode versus the orrery display mode in the iPad's Solar Walk software application on students' knowledge of the Earth's place in the solar system. The…
Computer simulations of the mechanical properties of metals
DEFF Research Database (Denmark)
Schiøtz, Jakob; Vegge, Tejs
1999-01-01
Atomic-scale computer simulations can be used to gain a better understanding of the mechanical properties of materials. In this paper we demonstrate how this can be done in the case of nanocrystalline copper, and give a brief overview of how simulations may be extended to larger length scales....... Nanocrystline metals are metals with grain sizes in the nanometre range, they have a number of technologically interesting properties such as much increased hardness and yield strength. Our simulations show that the deformation mechanisms are different in these materials than in coarse-grained materials...
On the Soft Limit of the Large Scale Structure Power Spectrum: UV Dependence
Garny, Mathias; Porto, Rafael A; Sagunski, Laura
2015-01-01
We derive a non-perturbative equation for the large scale structure power spectrum of long-wavelength modes. Thereby, we use an operator product expansion together with relations between the three-point function and power spectrum in the soft limit. The resulting equation encodes the coupling to ultraviolet (UV) modes in two time-dependent coefficients, which may be obtained from response functions to (anisotropic) parameters, such as spatial curvature, in a modified cosmology. We argue that both depend weakly on fluctuations deep in the UV. As a byproduct, this implies that the renormalized leading order coefficient(s) in the effective field theory (EFT) of large scale structures receive most of their contribution from modes close to the non-linear scale. Consequently, the UV dependence found in explicit computations within standard perturbation theory stems mostly from counter-term(s). We confront a simplified version of our non-perturbative equation against existent numerical simulations, and find good agr...
Factors cost effectively improved using computer simulations of ...
African Journals Online (AJOL)
LPhidza
effectively managed using computer simulations in semi-arid conditions pertinent to much of sub-Saharan Africa. ... small scale farmers to obtain optimal crop yields thus ensuring their food security and livelihood is ... those that simultaneously incorporate and simulate processes involved throughout the course of crop ...
A Novel Multi-scale Simulation Strategy for Turbulent Reacting Flows
Energy Technology Data Exchange (ETDEWEB)
James, Sutherland [University of Utah
2018-04-12
Abstract In this project, a new methodology was proposed to bridge the gap between Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES). This novel methodology, titled Lattice-Based Multiscale Simulation (LBMS), creates a lattice structure of One-Dimensional Turbulence (ODT) models. This model has been shown to capture turbulent combustion with high fidelity by fully resolving interactions between turbulence and diffusion. By creating a lattice of ODT models, which are then coupled, LBMS overcomes the shortcomings of ODT, which are its inability to capture large scale three dimensional flow structures. However, by spacing these lattices significantly apart, LBMS can avoid the curse of dimensionality that creates untenable computational costs associated with DNS. This project has shown that LBMS is capable of reproducing statistics of isotropic turbulent flows while coarsening the spacing between lines significantly. It also investigates and resolves issues that arise when coupling ODT lines, such as flux reconstruction perpendicular to a given ODT line, preservation of conserved quantities when eddies cross a course cell volume and boundary condition application. Robust parallelization is also investigated.
Large Eddy Simulation of a thermal mixing tee in order to assess the thermal fatigue
International Nuclear Information System (INIS)
Galpin, J.; Simoneau, J.P.
2011-01-01
Highlights: → In this study, we perform a Large Eddy Simulation of a mixing tee, for which experimental thermal statistics are available. → A special methodology has been set up for comparing properly the fluctuations with the experiment. → A comparison between the Smagorinsky and the structure-function sub-grid scale model is achieved out. → Slight better predictions are obtained with the structure-function model. → The possibility to reduce the computational domain by prescribing synthetic turbulence at the inlet is tested. First results are encouraging and underline the advantage of considering this technique instead of a standard noise at the entrance of the domain. - Abstract: The present paper deals with thermal fatigue phenomenon, and more particularly with the numerical simulation using Large Eddy Simulation technique of a mixing tee, for which experimental thermal statistics are available. The sensitivity to the sub-grid scale closure is first evaluated by comparing the experimental statistics with the numerical results obtained via both the Smagorinsky and the structure-function models. Because of a difference of temporal resolution between the experiment and the simulation, the direct comparison of the fluctuations is not possible. Therefore, a methodology based on filtering the numerical results is proposed in order to achieve a proper comparison. The comparison of the numerical results with the experiment suggests that slight better predictions are obtained with the structure-function model even if the dependency of the results to the sub-grid scale model is low. Then, the possibility to reduce the fluid computational domain by prescribing synthetic turbulence at the inlet is tested. First results are encouraging and underline the advantage of considering this technique instead of a standard noise at the entrance of the domain. All the simulations are conducted with the commercial CFD code STAR-CD.
Numerical Simulation of Unsteady Large Scale Separated Flow around Oscillating Airfoil
Isogai, Koji; 磯貝, 紘二
1991-01-01
Numerical simulations of dynamic stall phenomenon of NACA0012 airfoil oscillating in pitch near static stalling angle are performed by using the compressible Navier-Stokes equations. In the present computations, a TVD scheme and an algebraic turbulence model are employed for the simulations of the unsteady separated flows at Reynolds number of 1.1x105. The hysteresis loops of the unsteady pitching moment during dynamic stall are compared with the existing experimental data. The flow pattern a...
Properties of liquid clusters in large-scale molecular dynamics nucleation simulations
International Nuclear Information System (INIS)
Angélil, Raymond; Diemand, Jürg; Tanaka, Kyoko K.; Tanaka, Hidekazu
2014-01-01
We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, with 10 9 atoms. This large number allows us to resolve extremely low nucleation rates, and also provides excellent statistics for cluster properties over a wide range of cluster sizes. The nucleation rates, cluster growth rates, and size distributions are presented in Diemand et al. [J. Chem. Phys. 139, 74309 (2013)], while this paper analyses the properties of the clusters. We explore the cluster temperatures, density profiles, potential energies, and shapes. A thorough understanding of the properties of the clusters is crucial to the formulation of nucleation models. Significant latent heat is retained by stable clusters, by as much as ΔkT = 0.1ε for clusters with size i = 100. We find that the clusters deviate remarkably from spherical—with ellipsoidal axis ratios for critical cluster sizes typically within b/c = 0.7 ± 0.05 and a/c = 0.5 ± 0.05. We examine cluster spin angular momentum, and find that it plays a negligible role in the cluster dynamics. The interfaces of large, stable clusters are thinner than planar equilibrium interfaces by 10%−30%. At the critical cluster size, the cluster central densities are between 5% and 30% lower than the bulk liquid expectations. These lower densities imply larger-than-expected surface areas, which increase the energy cost to form a surface, which lowers nucleation rates
Optimization of suspension smelting technology by computer simulation
Energy Technology Data Exchange (ETDEWEB)
Lilius, K.; Jokilaakso, A.; Ahokainen, T.; Teppo, O.; Yang Yongxiang [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Materials Processing and Powder Metallurgy
1996-12-31
An industrial-scale flash smelting furnace and waste-heat boilers have been modelled by using commercial Computational-Fluid-Dynamics software. The work has proceeded from cold gas flow to heat transfer, combustion, and two-phase flow simulations. In the present study, the modelling task has been divided into three sub-models: (1) the concentrate burner, (2) the flash smelting furnace (reaction shaft and uptake shaft), and (3) the waste-heat boiler. For the concentrate burner, the flow of the process gas and distribution air together with the concentrate or a feed mixture was simulated. Eulerian - Eulerian approach was used for the carrier gas-phase and the dispersed particle-phase. A large parametric study was carried out by simulating a laboratory scale burner with varying turbulence intensities and then extending the simulations to the industrial scale model. For the flash smelting furnace, the simulation work concentrated on gas and gas-particle two-phase flows, as well as the development of combustion model for sulphide concentrate particles. Both Eulerian and Lagrangian approaches have been utilised in describing the particle phase and the spreading of the concentrate in the reaction shaft as well as the particle tracks have been obtained. Combustion of sulphides was first approximated with gaseous combustion by using a built-in combustion model of the software. The real oxidation reactions of the concentrate particles were then coded as a user-defined sub-routine and that was tested with industrial flash smelting cases. For the waste-heat boiler, both flow and heat transfer calculations have been carried out for an old boiler and a modified boiler SULA 2 Research Programme; 23 refs.
Optimization of suspension smelting technology by computer simulation
Energy Technology Data Exchange (ETDEWEB)
Lilius, K; Jokilaakso, A; Ahokainen, T; Teppo, O; Yongxiang, Yang [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Materials Processing and Powder Metallurgy
1997-12-31
An industrial-scale flash smelting furnace and waste-heat boilers have been modelled by using commercial Computational-Fluid-Dynamics software. The work has proceeded from cold gas flow to heat transfer, combustion, and two-phase flow simulations. In the present study, the modelling task has been divided into three sub-models: (1) the concentrate burner, (2) the flash smelting furnace (reaction shaft and uptake shaft), and (3) the waste-heat boiler. For the concentrate burner, the flow of the process gas and distribution air together with the concentrate or a feed mixture was simulated. Eulerian - Eulerian approach was used for the carrier gas-phase and the dispersed particle-phase. A large parametric study was carried out by simulating a laboratory scale burner with varying turbulence intensities and then extending the simulations to the industrial scale model. For the flash smelting furnace, the simulation work concentrated on gas and gas-particle two-phase flows, as well as the development of combustion model for sulphide concentrate particles. Both Eulerian and Lagrangian approaches have been utilised in describing the particle phase and the spreading of the concentrate in the reaction shaft as well as the particle tracks have been obtained. Combustion of sulphides was first approximated with gaseous combustion by using a built-in combustion model of the software. The real oxidation reactions of the concentrate particles were then coded as a user-defined sub-routine and that was tested with industrial flash smelting cases. For the waste-heat boiler, both flow and heat transfer calculations have been carried out for an old boiler and a modified boiler SULA 2 Research Programme; 23 refs.
Massively parallel Monte Carlo. Experiences running nuclear simulations on a large condor cluster
International Nuclear Information System (INIS)
Tickner, James; O'Dwyer, Joel; Roach, Greg; Uher, Josef; Hitchen, Greg
2010-01-01
The trivially-parallel nature of Monte Carlo (MC) simulations make them ideally suited for running on a distributed, heterogeneous computing environment. We report on the setup and operation of a large, cycle-harvesting Condor computer cluster, used to run MC simulations of nuclear instruments ('jobs') on approximately 4,500 desktop PCs. Successful operation must balance the competing goals of maximizing the availability of machines for running jobs whilst minimizing the impact on users' PC performance. This requires classification of jobs according to anticipated run-time and priority and careful optimization of the parameters used to control job allocation to host machines. To maximize use of a large Condor cluster, we have created a powerful suite of tools to handle job submission and analysis, as the manual creation, submission and evaluation of large numbers (hundred to thousands) of jobs would be too arduous. We describe some of the key aspects of this suite, which has been interfaced to the well-known MCNP and EGSnrc nuclear codes and our in-house PHOTON optical MC code. We report on our practical experiences of operating our Condor cluster and present examples of several large-scale instrument design problems that have been solved using this tool. (author)
Double inflation: A possible resolution of the large-scale structure problem
International Nuclear Information System (INIS)
Turner, M.S.; Villumsen, J.V.; Vittorio, N.; Silk, J.; Juszkiewicz, R.
1986-11-01
A model is presented for the large-scale structure of the universe in which two successive inflationary phases resulted in large small-scale and small large-scale density fluctuations. This bimodal density fluctuation spectrum in an Ω = 1 universe dominated by hot dark matter leads to large-scale structure of the galaxy distribution that is consistent with recent observational results. In particular, large, nearly empty voids and significant large-scale peculiar velocity fields are produced over scales of ∼100 Mpc, while the small-scale structure over ≤ 10 Mpc resembles that in a low density universe, as observed. Detailed analytical calculations and numerical simulations are given of the spatial and velocity correlations. 38 refs., 6 figs
Large-Scale Structure and Hyperuniformity of Amorphous Ices
Martelli, Fausto; Torquato, Salvatore; Giovambattista, Nicolas; Car, Roberto
2017-09-01
We investigate the large-scale structure of amorphous ices and transitions between their different forms by quantifying their large-scale density fluctuations. Specifically, we simulate the isothermal compression of low-density amorphous ice (LDA) and hexagonal ice to produce high-density amorphous ice (HDA). Both HDA and LDA are nearly hyperuniform; i.e., they are characterized by an anomalous suppression of large-scale density fluctuations. By contrast, in correspondence with the nonequilibrium phase transitions to HDA, the presence of structural heterogeneities strongly suppresses the hyperuniformity and the system becomes hyposurficial (devoid of "surface-area fluctuations"). Our investigation challenges the largely accepted "frozen-liquid" picture, which views glasses as structurally arrested liquids. Beyond implications for water, our findings enrich our understanding of pressure-induced structural transformations in glasses.
Wosnik, Martin; Bachant, Peter
2016-11-01
Cross-flow turbines show potential in marine hydrokinetic (MHK) applications. A research focus is on accurately predicting device performance and wake evolution to improve turbine array layouts for maximizing overall power output, i.e., minimizing wake interference, or taking advantage of constructive wake interaction. Experiments were carried with large laboratory-scale cross-flow turbines D O (1 m) using a turbine test bed in a large cross-section tow tank, designed to achieve sufficiently high Reynolds numbers for the results to be Reynolds number independent with respect to turbine performance and wake statistics, such that they can be reliably extrapolated to full scale and used for model validation. Several turbines of varying solidity were employed, including the UNH Reference Vertical Axis Turbine (RVAT) and a 1:6 scale model of the DOE-Sandia Reference Model 2 (RM2) turbine. To improve parameterization in array simulations, an actuator line model (ALM) was developed to provide a computationally feasible method for simulating full turbine arrays inside Navier-Stokes models. Results are presented for the simulation of performance and wake dynamics of cross-flow turbines and compared with experiments and body-fitted mesh, blade-resolving CFD. Supported by NSF-CBET Grant 1150797, Sandia National Laboratories.
Computer algebra simulation - what can it do?; Was leistet Computer-Algebra-Simulation?
Energy Technology Data Exchange (ETDEWEB)
Braun, S. [Visual Analysis AG, Muenchen (Germany)
2001-07-01
Shortened development times require new and improved calculation methods. Numeric methods have long become state of the art. However, although numeric simulations provide a better understanding of process parameters, they do not give a feast overview of the interdependences between parameters. Numeric simulations are effective only if all physical parameters are sufficiently known; otherwise, the efficiency will decrease due to the large number of variant calculations required. Computer algebra simulation closes this gap and provides a deeper understanding of the physical fundamentals of technical processes. [German] Neue und verbesserte Berechnungsmethoden sind notwendig, um die staendige Verkuerzung der Entwicklungszyklen zu ermoeglichen. Herkoemmliche Methoden, die auf einem rein numerischen Ansatz basieren, haben sich in vielen Anwendungsbereichen laengst zum Standard entwickelt. Aber nicht nur die staendig kuerzer werdenden Entwicklungszyklen, sondern auch die weiterwachsende Komplexitaet machen es notwendig, ein besseres Verstaendnis der beteiligten Prozessparameter zu gewinnen. Die numerische Simulation besticht zwar durch Detailloesungen, selbst bei komplexen Strukturen und Prozessen, allerdings liefert sie keine schnelle Abschaetzung ueber die Zusammenhaenge zwischen den einzelnen Parametern. Die numerische Simulation ist nur dann effektiv, wenn alle physikalischen Parameter hinreichend bekannt sind; andernfalls sinkt die Effizienz durch die notwendige Anzahl von notwendigen Variantenrechnungen sehr stark. Die Computer-Algebra-Simulation schliesst diese Luecke in dem sie es erlaubt, sich einen tieferen Einblick in die physikalische Funktionsweise technischer Prozesse zu verschaffen. (orig.)
On the soft limit of the large scale structure power spectrum. UV dependence
International Nuclear Information System (INIS)
Garny, Mathias
2015-08-01
We derive a non-perturbative equation for the large scale structure power spectrum of long-wavelength modes. Thereby, we use an operator product expansion together with relations between the three-point function and power spectrum in the soft limit. The resulting equation encodes the coupling to ultraviolet (UV) modes in two time-dependent coefficients, which may be obtained from response functions to (anisotropic) parameters, such as spatial curvature, in a modified cosmology. We argue that both depend weakly on fluctuations deep in the UV. As a byproduct, this implies that the renormalized leading order coefficient(s) in the effective field theory (EFT) of large scale structures receive most of their contribution from modes close to the non-linear scale. Consequently, the UV dependence found in explicit computations within standard perturbation theory stems mostly from counter-term(s). We confront a simplified version of our non-perturbative equation against existent numerical simulations, and find good agreement within the expected uncertainties. Our approach can in principle be used to precisely infer the relevance of the leading order EFT coefficient(s) using small volume simulations in an 'anisotropic separate universe' framework. Our results suggest that the importance of these coefficient(s) is a ∝ 10% effect, and plausibly smaller.
Large eddy simulations of isothermal confined swirling flow in an industrial gas-turbine
International Nuclear Information System (INIS)
Bulat, G.; Jones, W.P.; Navarro-Martinez, S.
2015-01-01
Highlights: • We conduct a large eddy simulation of an industrial gas turbine. • The results are compared with measurements obtained under isothermal conditions. • The method reproduces the observed precessing vortex and central vortex cores. • The profiles of mean and rms velocities are found to be captured to a good accuracy. - Abstract: The paper describes the results of a computational study of the strongly swirling isothermal flow in the combustion chamber of an industrial gas turbine. The flow field characteristics are computed using large eddy simulation in conjunction with a dynamic version of the Smagorinsky model for the sub-grid-scale stresses. Grid refinement studies demonstrate that the results are essentially grid independent. The LES results are compared with an extensive set of measurements and the agreement with these is overall good. The method is shown to be capable of reproducing the observed precessing vortex and central vortex cores and the profiles of mean and rms velocities are found to be captured to a good accuracy. The overall flow structure is shown to be virtually independent of Reynolds number
Evaluation of drought propagation in an ensemble mean of large-scale hydrological models
Directory of Open Access Journals (Sweden)
A. F. Van Loon
2012-11-01
Full Text Available Hydrological drought is increasingly studied using large-scale models. It is, however, not sure whether large-scale models reproduce the development of hydrological drought correctly. The pressing question is how well do large-scale models simulate the propagation from meteorological to hydrological drought? To answer this question, we evaluated the simulation of drought propagation in an ensemble mean of ten large-scale models, both land-surface models and global hydrological models, that participated in the model intercomparison project of WATCH (WaterMIP. For a selection of case study areas, we studied drought characteristics (number of droughts, duration, severity, drought propagation features (pooling, attenuation, lag, lengthening, and hydrological drought typology (classical rainfall deficit drought, rain-to-snow-season drought, wet-to-dry-season drought, cold snow season drought, warm snow season drought, composite drought.
Drought characteristics simulated by large-scale models clearly reflected drought propagation; i.e. drought events became fewer and longer when moving through the hydrological cycle. However, more differentiation was expected between fast and slowly responding systems, with slowly responding systems having fewer and longer droughts in runoff than fast responding systems. This was not found using large-scale models. Drought propagation features were poorly reproduced by the large-scale models, because runoff reacted immediately to precipitation, in all case study areas. This fast reaction to precipitation, even in cold climates in winter and in semi-arid climates in summer, also greatly influenced the hydrological drought typology as identified by the large-scale models. In general, the large-scale models had the correct representation of drought types, but the percentages of occurrence had some important mismatches, e.g. an overestimation of classical rainfall deficit droughts, and an
Sensitivity analysis for large-scale problems
Noor, Ahmed K.; Whitworth, Sandra L.
1987-01-01
The development of efficient techniques for calculating sensitivity derivatives is studied. The objective is to present a computational procedure for calculating sensitivity derivatives as part of performing structural reanalysis for large-scale problems. The scope is limited to framed type structures. Both linear static analysis and free-vibration eigenvalue problems are considered.
Energy Technology Data Exchange (ETDEWEB)
Dombroski, M; Melius, C; Edmunds, T; Banks, L E; Bates, T; Wheeler, R
2008-09-24
This study uses the Multi-scale Epidemiologic Simulation and Analysis (MESA) system developed for foreign animal diseases to assess consequences of nationwide human infectious disease outbreaks. A literature review identified the state of the art in both small-scale regional models and large-scale nationwide models and characterized key aspects of a nationwide epidemiological model. The MESA system offers computational advantages over existing epidemiological models and enables a broader array of stochastic analyses of model runs to be conducted because of those computational advantages. However, it has only been demonstrated on foreign animal diseases. This paper applied the MESA modeling methodology to human epidemiology. The methodology divided 2000 US Census data at the census tract level into school-bound children, work-bound workers, elderly, and stay at home individuals. The model simulated mixing among these groups by incorporating schools, workplaces, households, and long-distance travel via airports. A baseline scenario with fixed input parameters was run for a nationwide influenza outbreak using relatively simple social distancing countermeasures. Analysis from the baseline scenario showed one of three possible results: (1) the outbreak burned itself out before it had a chance to spread regionally, (2) the outbreak spread regionally and lasted a relatively long time, although constrained geography enabled it to eventually be contained without affecting a disproportionately large number of people, or (3) the outbreak spread through air travel and lasted a long time with unconstrained geography, becoming a nationwide pandemic. These results are consistent with empirical influenza outbreak data. The results showed that simply scaling up a regional small-scale model is unlikely to account for all the complex variables and their interactions involved in a nationwide outbreak. There are several limitations of the methodology that should be explored in future
Large Eddy/Reynolds-Averaged Navier-Stokes Simulations of CUBRC Base Heating Experiments
Salazar, Giovanni; Edwards, Jack R.; Amar, Adam J.
2012-01-01
ven with great advances in computational techniques and computing power during recent decades, the modeling of unsteady separated flows, such as those encountered in the wake of a re-entry vehicle, continues to be one of the most challenging problems in CFD. Of most interest to the aerothermodynamics community is accurately predicting transient heating loads on the base of a blunt body, which would result in reduced uncertainties and safety margins when designing a re-entry vehicle. However, the prediction of heat transfer can vary widely depending on the turbulence model employed. Therefore, selecting a turbulence model which realistically captures as much of the flow physics as possible will result in improved results. Reynolds Averaged Navier Stokes (RANS) models have become increasingly popular due to their good performance with attached flows, and the relatively quick turnaround time to obtain results. However, RANS methods cannot accurately simulate unsteady separated wake flows, and running direct numerical simulation (DNS) on such complex flows is currently too computationally expensive. Large Eddy Simulation (LES) techniques allow for the computation of the large eddies, which contain most of the Reynolds stress, while modeling the smaller (subgrid) eddies. This results in models which are more computationally expensive than RANS methods, but not as prohibitive as DNS. By complimenting an LES approach with a RANS model, a hybrid LES/RANS method resolves the larger turbulent scales away from surfaces with LES, and switches to a RANS model inside boundary layers. As pointed out by Bertin et al., this type of hybrid approach has shown a lot of promise for predicting turbulent flows, but work is needed to verify that these models work well in hypersonic flows. The very limited amounts of flight and experimental data available presents an additional challenge for researchers. Recently, a joint study by NASA and CUBRC has focused on collecting heat transfer data
HIGH-FIDELITY SIMULATION-DRIVEN MODEL DEVELOPMENT FOR COARSE-GRAINED COMPUTATIONAL FLUID DYNAMICS
Energy Technology Data Exchange (ETDEWEB)
Hanna, Botros N.; Dinh, Nam T.; Bolotnov, Igor A.
2016-06-01
Nuclear reactor safety analysis requires identifying various credible accident scenarios and determining their consequences. For a full-scale nuclear power plant system behavior, it is impossible to obtain sufficient experimental data for a broad range of risk-significant accident scenarios. In single-phase flow convective problems, Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES) can provide us with high fidelity results when physical data are unavailable. However, these methods are computationally expensive and cannot