Differential equations problem solver
Arterburn, David R
2012-01-01
REA's Problem Solvers is a series of useful, practical, and informative study guides. Each title in the series is complete step-by-step solution guide. The Differential Equations Problem Solver enables students to solve difficult problems by showing them step-by-step solutions to Differential Equations problems. The Problem Solvers cover material ranging from the elementary to the advanced and make excellent review books and textbook companions. They're perfect for undergraduate and graduate studies.The Differential Equations Problem Solver is the perfect resource for any class, any exam, and
International Nuclear Information System (INIS)
Secher, Bernard; Belliard, Michel; Calvin, Christophe
2009-01-01
This paper describes a tool called 'Numerical Platon' developed by the French Atomic Energy Commission (CEA). It provides a freely available (GNU LGPL license) interface for coupling scientific computing applications to various freeware linear solver libraries (essentially PETSc, SuperLU and HyPre), together with some proprietary CEA solvers, for high-performance computers that may be used in industrial software written in various programming languages. This tool was developed as part of considerable efforts by the CEA Nuclear Energy Division in the past years to promote massively parallel software and on-shelf parallel tools to help develop new generation simulation codes. After the presentation of the package architecture and the available algorithms, we show examples of how Numerical Platon is used in sequential and parallel CEA codes. Comparing with in-house solvers, the gain in terms of increases in computation capacities or in terms of parallel performances is notable, without considerable extra development cost
Energy Technology Data Exchange (ETDEWEB)
Secher, Bernard [French Atomic Energy Commission (CEA), Nuclear Energy Division (DEN) (France); CEA Saclay DM2S/SFME/LGLS, Bat. 454, F-91191 Gif-sur-Yvette Cedex (France)], E-mail: bsecher@cea.fr; Belliard, Michel [French Atomic Energy Commission (CEA), Nuclear Energy Division (DEN) (France); CEA Cadarache DER/SSTH/LMDL, Bat. 238, F-13108 Saint-Paul-lez-Durance Cedex (France); Calvin, Christophe [French Atomic Energy Commission (CEA), Nuclear Energy Division (DEN) (France); CEA Saclay DM2S/SERMA/LLPR, Bat. 470, F-91191 Gif-sur-Yvette Cedex (France)
2009-01-15
This paper describes a tool called 'Numerical Platon' developed by the French Atomic Energy Commission (CEA). It provides a freely available (GNU LGPL license) interface for coupling scientific computing applications to various freeware linear solver libraries (essentially PETSc, SuperLU and HyPre), together with some proprietary CEA solvers, for high-performance computers that may be used in industrial software written in various programming languages. This tool was developed as part of considerable efforts by the CEA Nuclear Energy Division in the past years to promote massively parallel software and on-shelf parallel tools to help develop new generation simulation codes. After the presentation of the package architecture and the available algorithms, we show examples of how Numerical Platon is used in sequential and parallel CEA codes. Comparing with in-house solvers, the gain in terms of increases in computation capacities or in terms of parallel performances is notable, without considerable extra development cost.
An immersed interface vortex particle-mesh solver
Marichal, Yves; Chatelain, Philippe; Winckelmans, Gregoire
2014-11-01
An immersed interface-enabled vortex particle-mesh (VPM) solver is presented for the simulation of 2-D incompressible viscous flows, in the framework of external aerodynamics. Considering the simulation of free vortical flows, such as wakes and jets, vortex particle-mesh methods already provide a valuable alternative to standard CFD methods, thanks to the interesting numerical properties arising from its Lagrangian nature. Yet, accounting for solid bodies remains challenging, despite the extensive research efforts that have been made for several decades. The present immersed interface approach aims at improving the consistency and the accuracy of one very common technique (based on Lighthill's model) for the enforcement of the no-slip condition at the wall in vortex methods. Targeting a sharp treatment of the wall calls for substantial modifications at all computational levels of the VPM solver. More specifically, the solution of the underlying Poisson equation, the computation of the diffusion term and the particle-mesh interpolation are adapted accordingly and the spatial accuracy is assessed. The immersed interface VPM solver is subsequently validated on the simulation of some challenging impulsively started flows, such as the flow past a cylinder and that past an airfoil. Research Fellow (PhD student) of the F.R.S.-FNRS of Belgium.
Simplified Linear Equation Solvers users manual
Energy Technology Data Exchange (ETDEWEB)
Gropp, W. [Argonne National Lab., IL (United States); Smith, B. [California Univ., Los Angeles, CA (United States)
1993-02-01
The solution of large sparse systems of linear equations is at the heart of many algorithms in scientific computing. The SLES package is a set of easy-to-use yet powerful and extensible routines for solving large sparse linear systems. The design of the package allows new techniques to be used in existing applications without any source code changes in the applications.
An alternative solver for the nodal expansion method equations - 106
International Nuclear Information System (INIS)
Carvalho da Silva, F.; Carlos Marques Alvim, A.; Senra Martinez, A.
2010-01-01
An automated procedure for nuclear reactor core design is accomplished by using a quick and accurate 3D nodal code, aiming at solving the diffusion equation, which describes the spatial neutron distribution in the reactor. This paper deals with an alternative solver for nodal expansion method (NEM), with only two inner iterations (mesh sweeps) per outer iteration, thus having the potential to reduce the time required to calculate the power distribution in nuclear reactors, but with accuracy similar to the ones found in conventional NEM. The proposed solver was implemented into a computational system which, besides solving the diffusion equation, also solves the burnup equations governing the gradual changes in material compositions of the core due to fuel depletion. Results confirm the effectiveness of the method for practical purposes. (authors)
Comparing direct and iterative equation solvers in a large structural analysis software system
Poole, E. L.
1991-01-01
Two direct Choleski equation solvers and two iterative preconditioned conjugate gradient (PCG) equation solvers used in a large structural analysis software system are described. The two direct solvers are implementations of the Choleski method for variable-band matrix storage and sparse matrix storage. The two iterative PCG solvers include the Jacobi conjugate gradient method and an incomplete Choleski conjugate gradient method. The performance of the direct and iterative solvers is compared by solving several representative structural analysis problems. Some key factors affecting the performance of the iterative solvers relative to the direct solvers are identified.
Analysis of transient plasmonic interactions using an MOT-PMCHWT integral equation solver
Uysal, Ismail Enes; Ulku, Huseyin Arda; Bagci, Hakan
2014-01-01
that discretize only on the interfaces. Additionally, IE solvers implicitly enforce the radiation condition and consequently do not need (approximate) absorbing boundary conditions. Despite these advantages, IE solvers, especially in time domain, have not been
Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers
Energy Technology Data Exchange (ETDEWEB)
Tang, Yu-Hang, E-mail: yuhang_tang@brown.edu [Division of Applied Mathematics, Brown University, Providence, RI (United States); Kudo, Shuhei, E-mail: shuhei-kudo@outlook.jp [Graduate School of System Informatics, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe, 657-8501 (Japan); Bian, Xin, E-mail: xin_bian@brown.edu [Division of Applied Mathematics, Brown University, Providence, RI (United States); Li, Zhen, E-mail: zhen_li@brown.edu [Division of Applied Mathematics, Brown University, Providence, RI (United States); Karniadakis, George Em, E-mail: george_karniadakis@brown.edu [Division of Applied Mathematics, Brown University, Providence, RI (United States); Collaboratory on Mathematics for Mesoscopic Modeling of Materials, Pacific Northwest National Laboratory, Richland, WA 99354 (United States)
2015-09-15
Graphical abstract: - Abstract: Concurrently coupled numerical simulations using heterogeneous solvers are powerful tools for modeling multiscale phenomena. However, major modifications to existing codes are often required to enable such simulations, posing significant difficulties in practice. In this paper we present a C++ library, i.e. the Multiscale Universal Interface (MUI), which is capable of facilitating the coupling effort for a wide range of multiscale simulations. The library adopts a header-only form with minimal external dependency and hence can be easily dropped into existing codes. A data sampler concept is introduced, combined with a hybrid dynamic/static typing mechanism, to create an easily customizable framework for solver-independent data interpretation. The library integrates MPI MPMD support and an asynchronous communication protocol to handle inter-solver information exchange irrespective of the solvers' own MPI awareness. Template metaprogramming is heavily employed to simultaneously improve runtime performance and code flexibility. We validated the library by solving three different multiscale problems, which also serve to demonstrate the flexibility of the framework in handling heterogeneous models and solvers. In the first example, a Couette flow was simulated using two concurrently coupled Smoothed Particle Hydrodynamics (SPH) simulations of different spatial resolutions. In the second example, we coupled the deterministic SPH method with the stochastic Dissipative Particle Dynamics (DPD) method to study the effect of surface grafting on the hydrodynamics properties on the surface. In the third example, we consider conjugate heat transfer between a solid domain and a fluid domain by coupling the particle-based energy-conserving DPD (eDPD) method with the Finite Element Method (FEM)
Preston, L. A.
2017-12-01
Marine hydrokinetic (MHK) devices offer a clean, renewable alternative energy source for the future. Responsible utilization of MHK devices, however, requires that the effects of acoustic noise produced by these devices on marine life and marine-related human activities be well understood. Paracousti is a 3-D full waveform acoustic modeling suite that can accurately propagate MHK noise signals in the complex bathymetry found in the near-shore to open ocean environment and considers real properties of the seabed, water column, and air-surface interface. However, this is a deterministic simulation that assumes the environment and source are exactly known. In reality, environmental and source characteristics are often only known in a statistical sense. Thus, to fully characterize the expected noise levels within the marine environment, this uncertainty in environmental and source factors should be incorporated into the acoustic simulations. One method is to use Monte Carlo (MC) techniques where simulation results from a large number of deterministic solutions are aggregated to provide statistical properties of the output signal. However, MC methods can be computationally prohibitive since they can require tens of thousands or more simulations to build up an accurate representation of those statistical properties. An alternative method, using the technique of stochastic partial differential equations (SPDE), allows computation of the statistical properties of output signals at a small fraction of the computational cost of MC. We are developing a SPDE solver for the 3-D acoustic wave propagation problem called Paracousti-UQ to help regulators and operators assess the statistical properties of environmental noise produced by MHK devices. In this presentation, we present the SPDE method and compare statistical distributions of simulated acoustic signals in simple models to MC simulations to show the accuracy and efficiency of the SPDE method. Sandia National Laboratories
A high order solver for the unbounded Poisson equation
DEFF Research Database (Denmark)
Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe
2013-01-01
. The method is extended to directly solve the derivatives of the solution to Poissonʼs equation. In this way differential operators such as the divergence or curl of the solution field can be solved to the same high order convergence without additional computational effort. The method, is applied......A high order converging Poisson solver is presented, based on the Greenʼs function solution to Poissonʼs equation subject to free-space boundary conditions. The high order convergence is achieved by formulating regularised integration kernels, analogous to a smoothing of the solution field...... and validated, however not restricted, to the equations of fluid mechanics, and can be used in many applications to solve Poissonʼs equation on a rectangular unbounded domain....
Analysis of transient plasmonic interactions using an MOT-PMCHWT integral equation solver
Uysal, Ismail Enes
2014-07-01
Device design involving metals and dielectrics at nano-scales and optical frequencies calls for simulation tools capable of analyzing plasmonic interactions. To this end finite difference time domain (FDTD) and finite element methods have been used extensively. Since these methods require volumetric meshes, the discretization size should be very small to accurately resolve fast-decaying fields in the vicinity of metal/dielectric interfaces. This can be avoided using integral equation (IE) techniques that discretize only on the interfaces. Additionally, IE solvers implicitly enforce the radiation condition and consequently do not need (approximate) absorbing boundary conditions. Despite these advantages, IE solvers, especially in time domain, have not been used for analyzing plasmonic interactions.
Using Solver Interfaced Virtual Reality in PEACER Design Process
International Nuclear Information System (INIS)
Lee, Hyong Won; Nam, Won Chang; Jeong, Seung Ho; Hwang, Il Soon; Shin, Jong Gye; Kim, Chang Hyo
2006-01-01
The recent research progress in the area of plant design and simulation highlighted the importance of integrating design and analysis models on a unified environment. For currently developed advanced reactors, either for power production or research, this effort has embraced impressive state-of-the-art information and automation technology. The PEACER (Proliferation-resistant, Environment friendly, Accident-tolerant, Continual and Economical Reactor) is one of the conceptual fast reactor system cooled by LBE (Lead Bismuth Eutectic) for nuclear waste transmutation. This reactor system is composed of innovative combination between design process and analysis. To establish an integrated design process by coupling design, analysis, and post-processing technology while minimizing the repetitive and costly manual interactions for design changes, a solver interfaced virtual reality simulation system (SIVR) has been developed for a nuclear transmutation energy system as PEACER. The SIVR was developed using Virtual Reality Modeling Language (VRML) in order to interface a commercial 3D CAD tool with various engineering solvers and to implement virtual reality presentation of results in a neutral format. In this paper, we have shown the SIVR approach viable and effective in the life-cycle management of complex nuclear energy systems, including design, construction and operation. For instance, The HELIOS is a down scaled model of the PEACER prototype to demonstrate the operability and safety as well as preliminary test of PEACER PLM (Product Life-cycle Management) with SIVR (Solver Interfaced Virtual Reality) concepts. Most components are designed by CATIA, which is 3D CAD tool. During the construction, 3D drawing by CATIA was effective to handle and arrange the loop configuration, especially when we changed the design. Most of all, This system shows the transparency of design and operational status of an energy complex to operators and inspectors can help ensure accident
POSSOL, 2-D Poisson Equation Solver for Nonuniform Grid
International Nuclear Information System (INIS)
Orvis, W.J.
1988-01-01
1 - Description of program or function: POSSOL is a two-dimensional Poisson equation solver for problems with arbitrary non-uniform gridding in Cartesian coordinates. It is an adaptation of the uniform grid PWSCRT routine developed by Schwarztrauber and Sweet at the National Center for Atmospheric Research (NCAR). 2 - Method of solution: POSSOL will solve the Helmholtz equation on an arbitrary, non-uniform grid on a rectangular domain allowing only one type of boundary condition on any one side. It can also be used to handle more than one type of boundary condition on a side by means of a capacitance matrix technique. There are three types of boundary conditions that can be applied: fixed, derivative, or periodic
Domain Decomposition Solvers for Frequency-Domain Finite Element Equations
Copeland, Dylan; Kolmbauer, Michael; Langer, Ulrich
2010-01-01
The paper is devoted to fast iterative solvers for frequency-domain finite element equations approximating linear and nonlinear parabolic initial boundary value problems with time-harmonic excitations. Switching from the time domain to the frequency domain allows us to replace the expensive time-integration procedure by the solution of a simple linear elliptic system for the amplitudes belonging to the sine- and to the cosine-excitation or a large nonlinear elliptic system for the Fourier coefficients in the linear and nonlinear case, respectively. The fast solution of the corresponding linear and nonlinear system of finite element equations is crucial for the competitiveness of this method. © 2011 Springer-Verlag Berlin Heidelberg.
Domain Decomposition Solvers for Frequency-Domain Finite Element Equations
Copeland, Dylan
2010-10-05
The paper is devoted to fast iterative solvers for frequency-domain finite element equations approximating linear and nonlinear parabolic initial boundary value problems with time-harmonic excitations. Switching from the time domain to the frequency domain allows us to replace the expensive time-integration procedure by the solution of a simple linear elliptic system for the amplitudes belonging to the sine- and to the cosine-excitation or a large nonlinear elliptic system for the Fourier coefficients in the linear and nonlinear case, respectively. The fast solution of the corresponding linear and nonlinear system of finite element equations is crucial for the competitiveness of this method. © 2011 Springer-Verlag Berlin Heidelberg.
Visualising magnetic fields numerical equation solvers in action
Beeteson, John Stuart
2001-01-01
Visualizing Magnetic Fields: Numerical Equation Solvers in Action provides a complete description of the theory behind a new technique, a detailed discussion of the ways of solving the equations (including a software visualization of the solution algorithms), the application software itself, and the full source code. Most importantly, there is a succinct, easy-to-follow description of each procedure in the code.The physicist Michael Faraday said that the study of magnetic lines of force was greatly influential in leading him to formulate many of those concepts that are now so fundamental to our modern world, proving to him their "great utility as well as fertility." Michael Faraday could only visualize these lines in his mind's eye and, even with modern computers to help us, it has been very expensive and time consuming to plot lines of force in magnetic fields
Domain decomposition solvers for nonlinear multiharmonic finite element equations
Copeland, D. M.
2010-01-01
In many practical applications, for instance, in computational electromagnetics, the excitation is time-harmonic. Switching from the time domain to the frequency domain allows us to replace the expensive time-integration procedure by the solution of a simple elliptic equation for the amplitude. This is true for linear problems, but not for nonlinear problems. However, due to the periodicity of the solution, we can expand the solution in a Fourier series. Truncating this Fourier series and approximating the Fourier coefficients by finite elements, we arrive at a large-scale coupled nonlinear system for determining the finite element approximation to the Fourier coefficients. The construction of fast solvers for such systems is very crucial for the efficiency of this multiharmonic approach. In this paper we look at nonlinear, time-harmonic potential problems as simple model problems. We construct and analyze almost optimal solvers for the Jacobi systems arising from the Newton linearization of the large-scale coupled nonlinear system that one has to solve instead of performing the expensive time-integration procedure. © 2010 de Gruyter.
Workload Characterization of CFD Applications Using Partial Differential Equation Solvers
Waheed, Abdul; Yan, Jerry; Saini, Subhash (Technical Monitor)
1998-01-01
Workload characterization is used for modeling and evaluating of computing systems at different levels of detail. We present workload characterization for a class of Computational Fluid Dynamics (CFD) applications that solve Partial Differential Equations (PDEs). This workload characterization focuses on three high performance computing platforms: SGI Origin2000, EBM SP-2, a cluster of Intel Pentium Pro bases PCs. We execute extensive measurement-based experiments on these platforms to gather statistics of system resource usage, which results in workload characterization. Our workload characterization approach yields a coarse-grain resource utilization behavior that is being applied for performance modeling and evaluation of distributed high performance metacomputing systems. In addition, this study enhances our understanding of interactions between PDE solver workloads and high performance computing platforms and is useful for tuning these applications.
Verification of continuum drift kinetic equation solvers in NIMROD
Energy Technology Data Exchange (ETDEWEB)
Held, E. D.; Ji, J.-Y. [Utah State University, Logan, Utah 84322-4415 (United States); Kruger, S. E. [Tech-X Corporation, Boulder, Colorado 80303 (United States); Belli, E. A. [General Atomics, San Diego, California 92186-5608 (United States); Lyons, B. C. [Program in Plasma Physics, Princeton University, Princeton, New Jersey 08543-0451 (United States)
2015-03-15
Verification of continuum solutions to the electron and ion drift kinetic equations (DKEs) in NIMROD [C. R. Sovinec et al., J. Comp. Phys. 195, 355 (2004)] is demonstrated through comparison with several neoclassical transport codes, most notably NEO [E. A. Belli and J. Candy, Plasma Phys. Controlled Fusion 54, 015015 (2012)]. The DKE solutions use NIMROD's spatial representation, 2D finite-elements in the poloidal plane and a 1D Fourier expansion in toroidal angle. For 2D velocity space, a novel 1D expansion in finite elements is applied for the pitch angle dependence and a collocation grid is used for the normalized speed coordinate. The full, linearized Coulomb collision operator is kept and shown to be important for obtaining quantitative results. Bootstrap currents, parallel ion flows, and radial particle and heat fluxes show quantitative agreement between NIMROD and NEO for a variety of tokamak equilibria. In addition, velocity space distribution function contours for ions and electrons show nearly identical detailed structure and agree quantitatively. A Θ-centered, implicit time discretization and a block-preconditioned, iterative linear algebra solver provide efficient electron and ion DKE solutions that ultimately will be used to obtain closures for NIMROD's evolving fluid model.
libmpdata++ 1.0: a library of parallel MPDATA solvers for systems of generalised transport equations
Jaruga, A.; Arabas, S.; Jarecka, D.; Pawlowska, H.; Smolarkiewicz, P. K.; Waruszewski, M.
2015-04-01
This paper accompanies the first release of libmpdata++, a C++ library implementing the multi-dimensional positive-definite advection transport algorithm (MPDATA) on regular structured grid. The library offers basic numerical solvers for systems of generalised transport equations. The solvers are forward-in-time, conservative and non-linearly stable. The libmpdata++ library covers the basic second-order-accurate formulation of MPDATA, its third-order variant, the infinite-gauge option for variable-sign fields and a flux-corrected transport extension to guarantee non-oscillatory solutions. The library is equipped with a non-symmetric variational elliptic solver for implicit evaluation of pressure gradient terms. All solvers offer parallelisation through domain decomposition using shared-memory parallelisation. The paper describes the library programming interface, and serves as a user guide. Supported options are illustrated with benchmarks discussed in the MPDATA literature. Benchmark descriptions include code snippets as well as quantitative representations of simulation results. Examples of applications include homogeneous transport in one, two and three dimensions in Cartesian and spherical domains; a shallow-water system compared with analytical solution (originally derived for a 2-D case); and a buoyant convection problem in an incompressible Boussinesq fluid with interfacial instability. All the examples are implemented out of the library tree. Regardless of the differences in the problem dimensionality, right-hand-side terms, boundary conditions and parallelisation approach, all the examples use the same unmodified library, which is a key goal of libmpdata++ design. The design, based on the principle of separation of concerns, prioritises the user and developer productivity. The libmpdata++ library is implemented in C++, making use of the Blitz++ multi-dimensional array containers, and is released as free/libre and open-source software.
libmpdata++ 0.1: a library of parallel MPDATA solvers for systems of generalised transport equations
Jaruga, A.; Arabas, S.; Jarecka, D.; Pawlowska, H.; Smolarkiewicz, P. K.; Waruszewski, M.
2014-11-01
This paper accompanies first release of libmpdata++, a C++ library implementing the Multidimensional Positive-Definite Advection Transport Algorithm (MPDATA). The library offers basic numerical solvers for systems of generalised transport equations. The solvers are forward-in-time, conservative and non-linearly stable. The libmpdata++ library covers the basic second-order-accurate formulation of MPDATA, its third-order variant, the infinite-gauge option for variable-sign fields and a flux-corrected transport extension to guarantee non-oscillatory solutions. The library is equipped with a non-symmetric variational elliptic solver for implicit evaluation of pressure gradient terms. All solvers offer parallelisation through domain decomposition using shared-memory parallelisation. The paper describes the library programming interface, and serves as a user guide. Supported options are illustrated with benchmarks discussed in the MPDATA literature. Benchmark descriptions include code snippets as well as quantitative representations of simulation results. Examples of applications include: homogeneous transport in one, two and three dimensions in Cartesian and spherical domains; shallow-water system compared with analytical solution (originally derived for a 2-D case); and a buoyant convection problem in an incompressible Boussinesq fluid with interfacial instability. All the examples are implemented out of the library tree. Regardless of the differences in the problem dimensionality, right-hand-side terms, boundary conditions and parallelisation approach, all the examples use the same unmodified library, which is a key goal of libmpdata++ design. The design, based on the principle of separation of concerns, prioritises the user and developer productivity. The libmpdata++ library is implemented in C++, making use of the Blitz++ multi-dimensional array containers, and is released as free/libre and open-source software.
A Python interface to Diffpack-based classes and solvers
Munthe-Kaas, Heidi Vikki
2013-01-01
Python is a programming language that has gained a lot of popularity during the last 15 years, and as a very easy-to-learn and flexible scripting language it is very well suited for computa- tional science, both in mathematics and in physics. Diffpack is a PDE library written in C++, made for easier implementation of both smaller PDE solvers and for larger libraries of simu- lators. It contains large class hierarchies for different solvers, grids, arrays, parallel computing and almost everyth...
Implementation of Generalized Adjoint Equation Solver for DeCART
International Nuclear Information System (INIS)
Han, Tae Young; Cho, Jin Young; Lee, Hyun Chul; Noh, Jae Man
2013-01-01
In this paper, the generalized adjoint solver based on the generalized perturbation theory is implemented on DeCART and the verification calculations were carried out. As the results, the adjoint flux for the general response coincides with the reference solution and it is expected that the solver could produce the parameters for the sensitivity and uncertainty analysis. Recently, MUSAD (Modules of Uncertainty and Sensitivity Analysis for DeCART) was developed for the uncertainty analysis of PMR200 core and the fundamental adjoint solver was implemented into DeCART. However, the application of the code was limited to the uncertainty to the multiplication factor, k eff , because it was based on the classical perturbation theory. For the uncertainty analysis to the general response as like the power density, it is necessary to develop the analysis module based on the generalized perturbation theory and it needs the generalized adjoint solutions from DeCART. In this paper, the generalized adjoint solver is implemented on DeCART and the calculation results are compared with the results by TSUNAMI of SCALE 6.1
VCODE, Ordinary Differential Equation Solver for Stiff and Non-Stiff Problems
International Nuclear Information System (INIS)
Cohen, Scott D.; Hindmarsh, Alan C.
2001-01-01
1 - Description of program or function: CVODE is a package written in ANSI standard C for solving initial value problems for ordinary differential equations. It solves both stiff and non stiff systems. In the stiff case, it includes a variety of options for treating the Jacobian of the system, including dense and band matrix solvers, and a preconditioned Krylov (iterative) solver. 2 - Method of solution: Integration is by Adams or BDF (Backward Differentiation Formula) methods, at user option. Corrector iteration is by functional iteration or Newton iteration. For the solution of linear systems within Newton iteration, users can select a dense solver, a band solver, a diagonal approximation, or a preconditioned Generalized Minimal Residual (GMRES) solver. In the dense and band cases, the user can supply a Jacobian approximation or let CVODE generate it internally. In the GMRES case, the pre-conditioner is user-supplied
Parallelization of pressure equation solver for incompressible N-S equations
International Nuclear Information System (INIS)
Ichihara, Kiyoshi; Yokokawa, Mitsuo; Kaburaki, Hideo.
1996-03-01
A pressure equation solver in a code for 3-dimensional incompressible flow analysis has been parallelized by using red-black SOR method and PCG method on Fujitsu VPP500, a vector parallel computer with distributed memory. For the comparison of scalability, the solver using the red-black SOR method has been also parallelized on the Intel Paragon, a scalar parallel computer with a distributed memory. The scalability of the red-black SOR method on both VPP500 and Paragon was lost, when number of processor elements was increased. The reason of non-scalability on both systems is increasing communication time between processor elements. In addition, the parallelization by DO-loop division makes the vectorizing efficiency lower on VPP500. For an effective implementation on VPP500, a large scale problem which holds very long vectorized DO-loops in the parallel program should be solved. PCG method with red-black SOR method applied to incomplete LU factorization (red-black PCG) has more iteration steps than normal PCG method with forward and backward substitution, in spite of same number of the floating point operations in a DO-loop of incomplete LU factorization. The parallelized red-black PCG method has less merits than the parallelized red-black SOR method when the computational region has fewer grids, because the low vectorization efficiency is obtained in red-black PCG method. (author)
International Nuclear Information System (INIS)
Jia, Jingfei; Kim, Hyun K.; Hielscher, Andreas H.
2015-01-01
It is well known that radiative transfer equation (RTE) provides more accurate tomographic results than its diffusion approximation (DA). However, RTE-based tomographic reconstruction codes have limited applicability in practice due to their high computational cost. In this article, we propose a new efficient method for solving the RTE forward problem with multiple light sources in an all-at-once manner instead of solving it for each source separately. To this end, we introduce here a novel linear solver called block biconjugate gradient stabilized method (block BiCGStab) that makes full use of the shared information between different right hand sides to accelerate solution convergence. Two parallelized block BiCGStab methods are proposed for additional acceleration under limited threads situation. We evaluate the performance of this algorithm with numerical simulation studies involving the Delta–Eddington approximation to the scattering phase function. The results show that the single threading block RTE solver proposed here reduces computation time by a factor of 1.5–3 as compared to the traditional sequential solution method and the parallel block solver by a factor of 1.5 as compared to the traditional parallel sequential method. This block linear solver is, moreover, independent of discretization schemes and preconditioners used; thus further acceleration and higher accuracy can be expected when combined with other existing discretization schemes or preconditioners. - Highlights: • We solve the multiple-right-hand-side problem in DOT with a block BiCGStab method. • We examine the CPU times of the block solver and the traditional sequential solver. • The block solver is faster than the sequential solver by a factor of 1.5–3.0. • Multi-threading block solvers give additional speedup under limited threads situation.
High-Order Calderón Preconditioned Time Domain Integral Equation Solvers
Valdes, Felipe
2013-05-01
Two high-order accurate Calderón preconditioned time domain electric field integral equation (TDEFIE) solvers are presented. In contrast to existing Calderón preconditioned time domain solvers, the proposed preconditioner allows for high-order surface representations and current expansions by using a novel set of fully-localized high-order div-and quasi curl-conforming (DQCC) basis functions. Numerical results demonstrate that the linear systems of equations obtained using the proposed basis functions converge rapidly, regardless of the mesh density and of the order of the current expansion. © 1963-2012 IEEE.
High-Order Calderón Preconditioned Time Domain Integral Equation Solvers
Valdes, Felipe; Ghaffari-Miab, Mohsen; Andriulli, Francesco P.; Cools, Kristof; Michielssen,
2013-01-01
Two high-order accurate Calderón preconditioned time domain electric field integral equation (TDEFIE) solvers are presented. In contrast to existing Calderón preconditioned time domain solvers, the proposed preconditioner allows for high-order surface representations and current expansions by using a novel set of fully-localized high-order div-and quasi curl-conforming (DQCC) basis functions. Numerical results demonstrate that the linear systems of equations obtained using the proposed basis functions converge rapidly, regardless of the mesh density and of the order of the current expansion. © 1963-2012 IEEE.
Xie, Yang; Ying, Jinyong; Xie, Dexuan
2017-03-30
SMPBS (Size Modified Poisson-Boltzmann Solvers) is a web server for computing biomolecular electrostatics using finite element solvers of the size modified Poisson-Boltzmann equation (SMPBE). SMPBE not only reflects ionic size effects but also includes the classic Poisson-Boltzmann equation (PBE) as a special case. Thus, its web server is expected to have a broader range of applications than a PBE web server. SMPBS is designed with a dynamic, mobile-friendly user interface, and features easily accessible help text, asynchronous data submission, and an interactive, hardware-accelerated molecular visualization viewer based on the 3Dmol.js library. In particular, the viewer allows computed electrostatics to be directly mapped onto an irregular triangular mesh of a molecular surface. Due to this functionality and the fast SMPBE finite element solvers, the web server is very efficient in the calculation and visualization of electrostatics. In addition, SMPBE is reconstructed using a new objective electrostatic free energy, clearly showing that the electrostatics and ionic concentrations predicted by SMPBE are optimal in the sense of minimizing the objective electrostatic free energy. SMPBS is available at the URL: smpbs.math.uwm.edu © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
A wavelet-based PWTD algorithm-accelerated time domain surface integral equation solver
Liu, Yang
2015-10-26
© 2015 IEEE. The multilevel plane-wave time-domain (PWTD) algorithm allows for fast and accurate analysis of transient scattering from, and radiation by, electrically large and complex structures. When used in tandem with marching-on-in-time (MOT)-based surface integral equation (SIE) solvers, it reduces the computational and memory costs of transient analysis from equation and equation to equation and equation, respectively, where Nt and Ns denote the number of temporal and spatial unknowns (Ergin et al., IEEE Trans. Antennas Mag., 41, 39-52, 1999). In the past, PWTD-accelerated MOT-SIE solvers have been applied to transient problems involving half million spatial unknowns (Shanker et al., IEEE Trans. Antennas Propag., 51, 628-641, 2003). Recently, a scalable parallel PWTD-accelerated MOT-SIE solver that leverages a hiearchical parallelization strategy has been developed and successfully applied to the transient problems involving ten million spatial unknowns (Liu et. al., in URSI Digest, 2013). We further enhanced the capabilities of this solver by implementing a compression scheme based on local cosine wavelet bases (LCBs) that exploits the sparsity in the temporal dimension (Liu et. al., in URSI Digest, 2014). Specifically, the LCB compression scheme was used to reduce the memory requirement of the PWTD ray data and computational cost of operations in the PWTD translation stage.
Domain decomposition solvers for nonlinear multiharmonic finite element equations
Copeland, D. M.; Langer, U.
2010-01-01
of a simple elliptic equation for the amplitude. This is true for linear problems, but not for nonlinear problems. However, due to the periodicity of the solution, we can expand the solution in a Fourier series. Truncating this Fourier series
AQUASOL: An efficient solver for the dipolar Poisson-Boltzmann-Langevin equation.
Koehl, Patrice; Delarue, Marc
2010-02-14
The Poisson-Boltzmann (PB) formalism is among the most popular approaches to modeling the solvation of molecules. It assumes a continuum model for water, leading to a dielectric permittivity that only depends on position in space. In contrast, the dipolar Poisson-Boltzmann-Langevin (DPBL) formalism represents the solvent as a collection of orientable dipoles with nonuniform concentration; this leads to a nonlinear permittivity function that depends both on the position and on the local electric field at that position. The differences in the assumptions underlying these two models lead to significant differences in the equations they generate. The PB equation is a second order, elliptic, nonlinear partial differential equation (PDE). Its response coefficients correspond to the dielectric permittivity and are therefore constant within each subdomain of the system considered (i.e., inside and outside of the molecules considered). While the DPBL equation is also a second order, elliptic, nonlinear PDE, its response coefficients are nonlinear functions of the electrostatic potential. Many solvers have been developed for the PB equation; to our knowledge, none of these can be directly applied to the DPBL equation. The methods they use may adapt to the difference; their implementations however are PBE specific. We adapted the PBE solver originally developed by Holst and Saied [J. Comput. Chem. 16, 337 (1995)] to the problem of solving the DPBL equation. This solver uses a truncated Newton method with a multigrid preconditioner. Numerical evidences suggest that it converges for the DPBL equation and that the convergence is superlinear. It is found however to be slow and greedy in memory requirement for problems commonly encountered in computational biology and computational chemistry. To circumvent these problems, we propose two variants, a quasi-Newton solver based on a simplified, inexact Jacobian and an iterative self-consistent solver that is based directly on the PBE
Integral propagator solvers for Vlasov-Fokker-Planck equations
International Nuclear Information System (INIS)
Donoso, J M; Rio, E del
2007-01-01
We briefly discuss the use of short-time integral propagators on solving the so-called Vlasov-Fokker-Planck equation for the dynamics of a distribution function. For this equation, the diffusion tensor is singular and the usual Gaussian representation of the short-time propagator is no longer valid. However, we prove that the path-integral approach on solving the equation is, in fact, reliable by means of our generalized propagator, which is obtained through the construction of an auxiliary solvable Fokker-Planck equation. The new representation of the grid-free advancing scheme describes the inherent cross- and self-diffusion processes, in both velocity and configuration spaces, in a natural manner, although these processes are not explicitly depicted in the differential equation. We also show that some splitting methods, as well as some finite-difference schemes, could fail in describing the aforementioned diffusion processes, governed in the whole phase space only by the velocity diffusion tensor. The short-time transition probability offers a stable and robust numerical algorithm that preserves the distribution positiveness and its norm, ensuring the smoothness of the evolving solution at any time step. (fast track communication)
KRYSI, Ordinary Differential Equations Solver with Sdirk Krylov Method
International Nuclear Information System (INIS)
Hindmarsh, A.C.; Norsett, S.P.
2001-01-01
1 - Description of program or function: KRYSI is a set of FORTRAN subroutines for solving ordinary differential equations initial value problems. It is suitable for both stiff and non-stiff systems. When solving the implicit stage equations in the stiff case, KRYSI uses a Krylov subspace iteration method called the SPIGMR (Scaled Preconditioned Incomplete Generalized Minimum Residual) method. No explicit Jacobian storage is required, except where used in pre- conditioning. A demonstration problem is included with a description of two pre-conditioners that are natural for its solution by KRYSI. 2 - Method of solution: KRYSI uses a three-stage, third-order singly diagonally implicit Runge-Kutta (SDIRK) method. In the stiff case, a preconditioned Krylov subspace iteration within a (so-called) inexact Newton iteration is used to solve the system of nonlinear algebraic equations
A high order solver for the unbounded Poisson equation
DEFF Research Database (Denmark)
Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe
In mesh-free particle methods a high order solution to the unbounded Poisson equation is usually achieved by constructing regularised integration kernels for the Biot-Savart law. Here the singular, point particles are regularised using smoothed particles to obtain an accurate solution with an order...... of convergence consistent with the moments conserved by the applied smoothing function. In the hybrid particle-mesh method of Hockney and Eastwood (HE) the particles are interpolated onto a regular mesh where the unbounded Poisson equation is solved by a discrete non-cyclic convolution of the mesh values...... and the integration kernel. In this work we show an implementation of high order regularised integration kernels in the HE algorithm for the unbounded Poisson equation to formally achieve an arbitrary high order convergence. We further present a quantitative study of the convergence rate to give further insight...
A high order solver for the unbounded Poisson equation
DEFF Research Database (Denmark)
Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe
2012-01-01
This work improves upon Hockney and Eastwood's Fourier-based algorithm for the unbounded Poisson equation to formally achieve arbitrary high order of convergence without any additional computational cost. We assess the methodology on the kinematic relations between the velocity and vorticity fields....
POISSON SUPERFISH, Poisson Equation Solver for Radio Frequency Cavity
International Nuclear Information System (INIS)
Colman, J.
2001-01-01
1 - Description of program or function: POISSON, SUPERFISH is a group of (1) codes that solve Poisson's equation and are used to compute field quality for both magnets and fixed electric potentials and (2) RF cavity codes that calculate resonant frequencies and field distributions of the fundamental and higher modes. The group includes: POISSON, PANDIRA, SUPERFISH, AUTOMESH, LATTICE, FORCE, MIRT, PAN-T, TEKPLOT, SF01, and SHY. POISSON solves Poisson's (or Laplace's) equation for the vector (scalar) potential with nonlinear isotropic iron (dielectric) and electric current (charge) distributions for two-dimensional Cartesian or three-dimensional cylindrical symmetry. It calculates the derivatives of the potential, the stored energy, and performs harmonic (multipole) analysis of the potential. PANDIRA is similar to POISSON except it allows anisotropic and permanent magnet materials and uses a different numerical method to obtain the potential. SUPERFISH solves for the accelerating (TM) and deflecting (TE) resonant frequencies and field distributions in an RF cavity with two-dimensional Cartesian or three-dimensional cylindrical symmetry. Only the azimuthally symmetric modes are found for cylindrically symmetric cavities. AUTOMESH prepares input for LATTICE from geometrical data describing the problem, (i.e., it constructs the 'logical' mesh and generates (x,y) coordinate data for straight lines, arcs of circles, and segments of hyperbolas). LATTICE generates an irregular triangular (physical) mesh from the input data, calculates the 'point current' terms at each mesh point in regions with distributed current density, and sets up the mesh point relaxation order needed to write the binary problem file for the equation-solving POISSON, PANDIRA, or SUPERFISH. FORCE calculates forces and torques on coils and iron regions from POISSON or PANDIRA solutions for the potential. MIRT optimizes magnet profiles, coil shapes, and current densities from POISSON output based on a
The Laguerre finite difference one-way equation solver
Terekhov, Andrew V.
2017-05-01
This paper presents a new finite difference algorithm for solving the 2D one-way wave equation with a preliminary approximation of a pseudo-differential operator by a system of partial differential equations. As opposed to the existing approaches, the integral Laguerre transform instead of Fourier transform is used. After carrying out the approximation of spatial variables it is possible to obtain systems of linear algebraic equations with better computing properties and to reduce computer costs for their solution. High accuracy of calculations is attained at the expense of employing finite difference approximations of higher accuracy order that are based on the dispersion-relationship-preserving method and the Richardson extrapolation in the downward continuation direction. The numerical experiments have verified that as compared to the spectral difference method based on Fourier transform, the new algorithm allows one to calculate wave fields with a higher degree of accuracy and a lower level of numerical noise and artifacts including those for non-smooth velocity models. In the context of solving the geophysical problem the post-stack migration for velocity models of the types Syncline and Sigsbee2A has been carried out. It is shown that the images obtained contain lesser noise and are considerably better focused as compared to those obtained by the known Fourier Finite Difference and Phase-Shift Plus Interpolation methods. There is an opinion that purely finite difference approaches do not allow carrying out the seismic migration procedure with sufficient accuracy, however the results obtained disprove this statement. For the supercomputer implementation it is proposed to use the parallel dichotomy algorithm when solving systems of linear algebraic equations with block-tridiagonal matrices.
A Kohn–Sham equation solver based on hexahedral finite elements
International Nuclear Information System (INIS)
Fang Jun; Gao Xingyu; Zhou Aihui
2012-01-01
We design a Kohn–Sham equation solver based on hexahedral finite element discretizations. The solver integrates three schemes proposed in this paper. The first scheme arranges one a priori locally-refined hexahedral mesh with appropriate multiresolution. The second one is a modified mass-lumping procedure which accelerates the diagonalization in the self-consistent field iteration. The third one is a finite element recovery method which enhances the eigenpair approximations with small extra work. We carry out numerical tests on each scheme to investigate the validity and efficiency, and then apply them to calculate the ground state total energies of nanosystems C 60 , C 120 , and C 275 H 172 . It is shown that our solver appears to be computationally attractive for finite element applications in electronic structure study.
Uysal, Ismail Enes
2016-10-01
Plasmonic structures are utilized in many applications ranging from bio-medicine to solar energy generation and transfer. Numerical schemes capable of solving equations of classical electrodynamics have been the method of choice for characterizing scattering properties of such structures. However, as dimensions of these plasmonic structures reduce to nanometer scale, quantum mechanical effects start to appear. These effects cannot be accurately modeled by available classical numerical methods. One of these quantum effects is the tunneling, which is observed when two structures are located within a sub-nanometer distance of each other. At these small distances electrons “jump" from one structure to another and introduce a path for electric current to flow. Classical equations of electrodynamics and the schemes used for solving them do not account for this additional current path. This limitation can be lifted by introducing an auxiliary tunnel with material properties obtained using quantum models and applying a classical solver to the structures connected by this auxiliary tunnel. Early work on this topic focused on quantum models that are generated using a simple one-dimensional wave function to find the tunneling probability and assume a simple Drude model for the permittivity of the tunnel. These tunnel models are then used together with a classical frequency domain solver. In this thesis, a time domain surface integral equation solver for quantum corrected analysis of transient plasmonic interactions is proposed. This solver has several advantages: (i) As opposed to frequency domain solvers, it provides results at a broad band of frequencies with a single simulation. (ii) As opposed to differential equation solvers, it only discretizes surfaces (reducing number of unknowns), enforces the radiation condition implicitly (increasing the accuracy), and allows for time step selection independent of spatial discretization (increasing efficiency). The quantum model
A Novel Partial Differential Algebraic Equation (PDAE) Solver
DEFF Research Database (Denmark)
Lim, Young-il; Chang, Sin-Chung; Jørgensen, Sten Bay
2004-01-01
For solving partial differential algebraic equations (PDAEs), the space-time conservation element/solution element (CE/SE) method is addressed in this study. The method of lines (MOL) using an implicit time integrator is compared with the CE/SE method in terms of computational efficiency, solution...... or nonlinear adsorption isotherm are solved by the two methods. The CE/SE method enforces both local and global flux conservation in space and time, and uses a simple stencil structure (two points at the previous time level and one point at the present time level). Thus, accurate and computationally...
PolyRES: A polygon-based Richards equation solver
International Nuclear Information System (INIS)
Hills, R.G.
1995-12-01
This document describes the theory, implementation, and use of a software package designed to solve the transient, two-dimensional, Richards equation for water flow in unsaturated-saturated soils. This package was specifically designed to model complex geometries with minimal input from the user and to simulate groundwater flow related to assessment of low-level radioactive waste disposal sites and engineered facilities. The spatial variation of the hydraulic properties can be defined across individual polygon-shaped subdomains, called objects. These objects combine to form a polygon-shaped model domain. Each object can have its own distribution of hydraulic parameters. The resulting model domain and polygon-shaped internal objects are mapped onto a rectangular, finite-volume, computational grid by a preprocessor. This allows the user to specify model geometry independently of the underlying grid and greatly simplifies user input for complex geometries. In addition, this approach significantly reduces the computational requirements since complex geometries are actually modeled on a rectangular grid. This results in well-structured, finite difference-like systems of equations that require minimal storage and are very efficient to solve. The documentation for this software package includes a user's manual, a detailed description of the underlying theory, and a detailed discussion of program flow. Several example problems are presented that show the use and features of the software package. The water flow predictions for several of these example problems are compared to those of another algorithm to test for prediction equivalency
VODE, Variable Coefficient Ordinary Differential Equations (ODE) Solver
International Nuclear Information System (INIS)
Brown, P.N.; Hindmarsh, A.C.; Byrne, G.D.
2002-01-01
1 - Description of program or function: VODE is a package of subroutines for the numerical solution of the initial-value problem for systems of first-order ordinary differential equations. The package can be used for either stiff or non-stiff systems. In the stiff case, the Jacobian matrix is treated as full or banded. An algorithm is included for saving and reusing the Jacobian matrix under certain conditions. If storage is limited, this option may be suppressed. 2 - Method of solution - VODE uses the variable-order, variable- coefficient Adams-Moulton method for non-stiff systems and the variable-order, fixed-leading-coefficient Backward Differentiation Formula (BDF) method for stiff systems
Efficient steady-state solver for hierarchical quantum master equations
Zhang, Hou-Dao; Qiao, Qin; Xu, Rui-Xue; Zheng, Xiao; Yan, YiJing
2017-07-01
Steady states play pivotal roles in many equilibrium and non-equilibrium open system studies. Their accurate evaluations call for exact theories with rigorous treatment of system-bath interactions. Therein, the hierarchical equations-of-motion (HEOM) formalism is a nonperturbative and non-Markovian quantum dissipation theory, which can faithfully describe the dissipative dynamics and nonlinear response of open systems. Nevertheless, solving the steady states of open quantum systems via HEOM is often a challenging task, due to the vast number of dynamical quantities involved. In this work, we propose a self-consistent iteration approach that quickly solves the HEOM steady states. We demonstrate its high efficiency with accurate and fast evaluations of low-temperature thermal equilibrium of a model Fenna-Matthews-Olson pigment-protein complex. Numerically exact evaluation of thermal equilibrium Rényi entropies and stationary emission line shapes is presented with detailed discussion.
A fast, high-order solver for the Grad–Shafranov equation
International Nuclear Information System (INIS)
Pataki, Andras; Cerfon, Antoine J.; Freidberg, Jeffrey P.; Greengard, Leslie; O’Neil, Michael
2013-01-01
We present a new fast solver to calculate fixed-boundary plasma equilibria in toroidally axisymmetric geometries. By combining conformal mapping with Fourier and integral equation methods on the unit disk, we show that high-order accuracy can be achieved for the solution of the equilibrium equation and its first and second derivatives. Smooth arbitrary plasma cross-sections as well as arbitrary pressure and poloidal current profiles are used as initial data for the solver. Equilibria with large Shafranov shifts can be computed without difficulty. Spectral convergence is demonstrated by comparing the numerical solution with a known exact analytic solution. A fusion-relevant example of an equilibrium with a pressure pedestal is also presented
Wu, Jiayang; Cao, Pan; Hu, Xiaofeng; Jiang, Xinhong; Pan, Ting; Yang, Yuxing; Qiu, Ciyuan; Tremblay, Christine; Su, Yikai
2014-10-20
We propose and experimentally demonstrate an all-optical temporal differential-equation solver that can be used to solve ordinary differential equations (ODEs) characterizing general linear time-invariant (LTI) systems. The photonic device implemented by an add-drop microring resonator (MRR) with two tunable interferometric couplers is monolithically integrated on a silicon-on-insulator (SOI) wafer with a compact footprint of ~60 μm × 120 μm. By thermally tuning the phase shifts along the bus arms of the two interferometric couplers, the proposed device is capable of solving first-order ODEs with two variable coefficients. The operation principle is theoretically analyzed, and system testing of solving ODE with tunable coefficients is carried out for 10-Gb/s optical Gaussian-like pulses. The experimental results verify the effectiveness of the fabricated device as a tunable photonic ODE solver.
Uysal, Ismail Enes
2016-08-09
Transient electromagnetic interactions on plasmonic nanostructures are analyzed by solving the Poggio-Miller-Chan-Harrington-Wu-Tsai (PMCHWT) surface integral equation (SIE). Equivalent (unknown) electric and magnetic current densities, which are introduced on the surfaces of the nanostructures, are expanded using Rao-Wilton-Glisson and polynomial basis functions in space and time, respectively. Inserting this expansion into the PMCHWT-SIE and Galerkin testing the resulting equation at discrete times yield a system of equations that is solved for the current expansion coefficients by a marching on-in-time (MOT) scheme. The resulting MOT-PMCHWT-SIE solver calls for computation of additional convolutions between the temporal basis function and the plasmonic medium\\'s permittivity and Green function. This computation is carried out with almost no additional cost and without changing the computational complexity of the solver. Time-domain samples of the permittivity and the Green function required by these convolutions are obtained from their frequency-domain samples using a fast relaxed vector fitting algorithm. Numerical results demonstrate the accuracy and applicability of the proposed MOT-PMCHWT solver. © 2016 Optical Society of America.
International Nuclear Information System (INIS)
Na, Y. W.; Park, C. E.; Lee, S. Y.
2009-01-01
main object of this work is not to investigate the whole transient behavior of the models at hand but to focus on the behavior of numerical solutions part of the sparse asymmetric matrix equations in the transient of hydraulic system. It is outside of the scope of this work to improve the diagonal dominance or to pre-condition the matrix in the process of differencing and linearizing the governing equation, even though it is better to do it that way before applying the solver if there is any efficient way available
Multilevel solvers of first-order system least-squares for Stokes equations
Energy Technology Data Exchange (ETDEWEB)
Lai, Chen-Yao G. [National Chung Cheng Univ., Chia-Yi (Taiwan, Province of China)
1996-12-31
Recently, The use of first-order system least squares principle for the approximate solution of Stokes problems has been extensively studied by Cai, Manteuffel, and McCormick. In this paper, we study multilevel solvers of first-order system least-squares method for the generalized Stokes equations based on the velocity-vorticity-pressure formulation in three dimensions. The least-squares functionals is defined to be the sum of the L{sup 2}-norms of the residuals, which is weighted appropriately by the Reynolds number. We develop convergence analysis for additive and multiplicative multilevel methods applied to the resulting discrete equations.
ELSI: A unified software interface for Kohn-Sham electronic structure solvers
Yu, Victor Wen-zhe; Corsetti, Fabiano; García, Alberto; Huhn, William P.; Jacquelin, Mathias; Jia, Weile; Lange, Björn; Lin, Lin; Lu, Jianfeng; Mi, Wenhui; Seifitokaldani, Ali; Vázquez-Mayagoitia, Álvaro; Yang, Chao; Yang, Haizhao; Blum, Volker
2018-01-01
Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aims to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. Comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.
Parallel Computation of the Jacobian Matrix for Nonlinear Equation Solvers Using MATLAB
Rose, Geoffrey K.; Nguyen, Duc T.; Newman, Brett A.
2017-01-01
Demonstrating speedup for parallel code on a multicore shared memory PC can be challenging in MATLAB due to underlying parallel operations that are often opaque to the user. This can limit potential for improvement of serial code even for the so-called embarrassingly parallel applications. One such application is the computation of the Jacobian matrix inherent to most nonlinear equation solvers. Computation of this matrix represents the primary bottleneck in nonlinear solver speed such that commercial finite element (FE) and multi-body-dynamic (MBD) codes attempt to minimize computations. A timing study using MATLAB's Parallel Computing Toolbox was performed for numerical computation of the Jacobian. Several approaches for implementing parallel code were investigated while only the single program multiple data (spmd) method using composite objects provided positive results. Parallel code speedup is demonstrated but the goal of linear speedup through the addition of processors was not achieved due to PC architecture.
Sayed, Sadeed Bin; Uysal, Ismail Enes; Bagci, Hakan; Ulku, H. Arda
2018-01-01
Quantum tunneling is observed between two nanostructures that are separated by a sub-nanometer gap. Electrons “jumping” from one structure to another create an additional current path. An auxiliary tunnel is introduced between the two structures as a support for this so that a classical electromagnetic solver can account for the effects of quantum tunneling. The dispersive permittivity of the tunnel is represented by a Drude model, whose parameters are obtained from the electron tunneling probability. The transient scattering from the connected nanostructures (i.e., nanostructures plus auxiliary tunnel) is analyzed using a time domain volume integral equation solver. Numerical results demonstrating the effect of quantum tunneling on the scattered fields are provided.
Application of GPU to Multi-interfaces Advection and Reconstruction Solver (MARS)
International Nuclear Information System (INIS)
Nagatake, Taku; Takase, Kazuyuki; Kunugi, Tomoaki
2010-01-01
In the nuclear engineering fields, a high performance computer system is necessary to perform the large scale computations. Recently, a Graphics Processing Unit (GPU) has been developed as a rendering computational system in order to reduce a Central Processing Unit (CPU) load. In the graphics processing, the high performance computing is needed to render the high-quality 3D objects in some video games. Thus the GPU consists of many processing units and a wide memory bandwidth. In this study, the Multi-interfaces Advection and Reconstruction Solver (MARS) which is one of the interface volume tracking methods for multi-phase flows has been performed. The multi-phase flow computation is very important for the nuclear reactors and other engineering fields. The MARS consists of two computing parts: the interface tracking part and the fluid motion computing part. As for the interface tracking part, the performance of GPU (GTX280) was 6 times faster than that of the CPU (Dual-Xeon 5040), and in the fluid motion computing part the Poisson Solver by the GPU (GTX285) was 22 times faster than that by the CPU(Core i7). As for the Dam Breaking Problem, the result of GPU-MARS showed slightly different from the experimental result. Because the GPU-MARS was developed using the single-precision GPU, it can be considered that the round-off error might be accumulated. (author)
Cartesian Mesh Linearized Euler Equations Solver for Aeroacoustic Problems around Full Aircraft
Directory of Open Access Journals (Sweden)
Yuma Fukushima
2015-01-01
Full Text Available The linearized Euler equations (LEEs solver for aeroacoustic problems has been developed on block-structured Cartesian mesh to address complex geometry. Taking advantage of the benefits of Cartesian mesh, we employ high-order schemes for spatial derivatives and for time integration. On the other hand, the difficulty of accommodating curved wall boundaries is addressed by the immersed boundary method. The resulting LEEs solver is robust to complex geometry and numerically efficient in a parallel environment. The accuracy and effectiveness of the present solver are validated by one-dimensional and three-dimensional test cases. Acoustic scattering around a sphere and noise propagation from the JT15D nacelle are computed. The results show good agreement with analytical, computational, and experimental results. Finally, noise propagation around fuselage-wing-nacelle configurations is computed as a practical example. The results show that the sound pressure level below the over-the-wing nacelle (OWN configuration is much lower than that of the conventional DLR-F6 aircraft configuration due to the shielding effect of the OWN configuration.
Liu, Yang
2013-07-01
The computational complexity and memory requirements of multilevel plane wave time domain (PWTD)-accelerated marching-on-in-time (MOT)-based surface integral equation (SIE) solvers scale as O(NtNs(log 2)Ns) and O(Ns 1.5); here N t and Ns denote numbers of temporal and spatial basis functions discretizing the current [Shanker et al., IEEE Trans. Antennas Propag., 51, 628-641, 2003]. In the past, serial versions of these solvers have been successfully applied to the analysis of scattering from perfect electrically conducting as well as homogeneous penetrable targets involving up to Ns ≈ 0.5 × 106 and Nt ≈ 10 3. To solve larger problems, parallel PWTD-enhanced MOT solvers are called for. Even though a simple parallelization strategy was demonstrated in the context of electromagnetic compatibility analysis [M. Lu et al., in Proc. IEEE Int. Symp. AP-S, 4, 4212-4215, 2004], by and large, progress in this area has been slow. The lack of progress can be attributed wholesale to difficulties associated with the construction of a scalable PWTD kernel. © 2013 IEEE.
Ghil, M.; Balgovind, R.
1979-01-01
The inhomogeneous Cauchy-Riemann equations in a rectangle are discretized by a finite difference approximation. Several different boundary conditions are treated explicitly, leading to algorithms which have overall second-order accuracy. All boundary conditions with either u or v prescribed along a side of the rectangle can be treated by similar methods. The algorithms presented here have nearly minimal time and storage requirements and seem suitable for development into a general-purpose direct Cauchy-Riemann solver for arbitrary boundary conditions.
A fast Poisson solver for unsteady incompressible Navier-Stokes equations on the half-staggered grid
Golub, G. H.; Huang, L. C.; Simon, H.; Tang, W. -P.
1995-01-01
In this paper, a fast Poisson solver for unsteady, incompressible Navier-Stokes equations with finite difference methods on the non-uniform, half-staggered grid is presented. To achieve this, new algorithms for diagonalizing a semi-definite pair are developed. Our fast solver can also be extended to the three dimensional case. The motivation and related issues in using this second kind of staggered grid are also discussed. Numerical testing has indicated the effectiveness of this algorithm.
Parallel, explicit, and PWTD-enhanced time domain volume integral equation solver
Liu, Yang
2013-07-01
Time domain volume integral equations (TDVIEs) are useful for analyzing transient scattering from inhomogeneous dielectric objects in applications as varied as photonics, optoelectronics, and bioelectromagnetics. TDVIEs typically are solved by implicit marching-on-in-time (MOT) schemes [N. T. Gres et al., Radio Sci., 36, 379-386, 2001], requiring the solution of a system of equations at each and every time step. To reduce the computational cost associated with such schemes, [A. Al-Jarro et al., IEEE Trans. Antennas Propagat., 60, 5203-5215, 2012] introduced an explicit MOT-TDVIE method that uses a predictor-corrector technique to stably update field values throughout the scatterer. By leveraging memory-efficient nodal spatial discretization and scalable parallelization schemes [A. Al-Jarro et al., in 28th Int. Rev. Progress Appl. Computat. Electromagn., 2012], this solver has been successfully applied to the analysis of scattering phenomena involving 0.5 million spatial unknowns. © 2013 IEEE.
Description and use of LSODE, the Livermore Solver for Ordinary Differential Equations
Radhakrishnan, Krishnan; Hindmarsh, Alan C.
1993-01-01
LSODE, the Livermore Solver for Ordinary Differential Equations, is a package of FORTRAN subroutines designed for the numerical solution of the initial value problem for a system of ordinary differential equations. It is particularly well suited for 'stiff' differential systems, for which the backward differentiation formula method of orders 1 to 5 is provided. The code includes the Adams-Moulton method of orders 1 to 12, so it can be used for nonstiff problems as well. In addition, the user can easily switch methods to increase computational efficiency for problems that change character. For both methods a variety of corrector iteration techniques is included in the code. Also, to minimize computational work, both the step size and method order are varied dynamically. This report presents complete descriptions of the code and integration methods, including their implementation. It also provides a detailed guide to the use of the code, as well as an illustrative example problem.
DEFF Research Database (Denmark)
Kolmogorov, Dmitry
turbine computations, collocated grid-based SIMPLE-like algorithms are developed for computations on block-structured grids with nonconformal interfaces. A technique to enhance both the convergence speed and the solution accuracy of the SIMPLE-like algorithms is presented. The erroneous behavior, which...... versions of the SIMPLE algorithm. The new technique is implemented in an existing conservative 2nd order finite-volume scheme flow solver (EllipSys), which is extended to cope with grids with nonconformal interfaces. The behavior of the discrete Navier-Stokes equations is discussed in detail...... Block LU relaxation scheme is shown to possess several optimal conditions, which enables to preserve high efficiency of the multigrid solver on both conformal and nonconformal grids. The developments are done using a parallel MPI algorithm, which can handle multiple numbers of interfaces with multiple...
Moving interfaces and quasilinear parabolic evolution equations
Prüss, Jan
2016-01-01
In this monograph, the authors develop a comprehensive approach for the mathematical analysis of a wide array of problems involving moving interfaces. It includes an in-depth study of abstract quasilinear parabolic evolution equations, elliptic and parabolic boundary value problems, transmission problems, one- and two-phase Stokes problems, and the equations of incompressible viscous one- and two-phase fluid flows. The theory of maximal regularity, an essential element, is also fully developed. The authors present a modern approach based on powerful tools in classical analysis, functional analysis, and vector-valued harmonic analysis. The theory is applied to problems in two-phase fluid dynamics and phase transitions, one-phase generalized Newtonian fluids, nematic liquid crystal flows, Maxwell-Stefan diffusion, and a variety of geometric evolution equations. The book also includes a discussion of the underlying physical and thermodynamic principles governing the equations of fluid flows and phase transitions...
International Nuclear Information System (INIS)
Fochesato, Ch.; Bouche, D.
2007-01-01
The numerical solution of Maxwell equations is a challenging task. Moreover, the range of applications is very wide: microwave devices, diffraction, to cite a few. As a result, a number of methods have been proposed since the sixties. However, among all these methods, none has proved to be free of drawbacks. The finite difference scheme proposed by Yee in 1966, is well suited for Maxwell equations. However, it only works on cubical mesh. As a result, the boundaries of complex objects are not properly handled by the scheme. When classical nodal finite elements are used, spurious modes appear, which spoil the results of simulations. Edge elements overcome this problem, at the price of rather complex implementation, and computationally intensive simulations. Finite volume methods, either generalizing Yee scheme to a wider class of meshes, or applying to Maxwell equations methods initially used in the field of hyperbolic systems of conservation laws, are also used. Lastly, 'Discontinuous Galerkin' methods, generalizing to arbitrary order of accuracy finite volume methods, have recently been applied to Maxwell equations. In this report, we more specifically focus on the coupling of a Maxwell solver to a PIC (Particle-in-cell) method. We analyze advantages and drawbacks of the most widely used methods: accuracy, robustness, sensitivity to numerical artefacts, efficiency, user judgment. (authors)
Energy Technology Data Exchange (ETDEWEB)
Haertle, Rainer [Institut fuer Theoretische Physik, Georg-August-Universitaet Goettingen, Goettingen (Germany); Millis, Andrew J. [Department of Physics, Columbia University, New York (United States)
2016-07-01
We present a new impurity solver for real-time and nonequilibrium dynamical mean field theory applications, based on the recently developed hierarchical quantum master equation approach. Our method employs a hybridization expansion of the time evolution operator, including an advanced, systematic truncation scheme. Convergence to exact results for not too low temperatures has been demonstrated by a direct comparison to quantum Monte Carlo simulations. The approach is time-local, which gives us access to slow dynamics such as, e.g., in the presence of magnetic fields or exchange interactions and to nonequilibrium steady states. Here, we present first results of this new scheme for the description of strongly correlated materials in the framework of dynamical mean field theory, including benchmark and new results for the Hubbard and periodic Anderson model.
International Nuclear Information System (INIS)
Navarro, V.; Alonso, J.; Asensio, L.; Yustres, A.; Pintado, X.
2012-01-01
Document available in extended abstract form only. The use of numerical methods, especially the Finite Element Method (FEM), for solving boundary problems in Unsaturated Soil Mechanics has experienced significant progress. Several codes, both built mainly for research purposes and commercial software, are now available. In the last years, Multi-physic Partial Differentiation Equation Solvers (MPDES) have turned out to be an interesting proposal. In this family of solvers, the user defines the governing equations and the behaviour models, generally using a computer algebra environment. The code automatically assembles and solves the equation systems, saving the user having to redefine the structures of memory storage or to implement solver algorithms. The user can focus on the definition of the physics of the problem, while it is possible to couple virtually any physical or chemical process that can be described by a PDE. This can be done, for instance, in COMSOL Multiphysics (CM). Nonetheless, the versatility of CM is compromised by the impossibility to implement models with variables defined by implicit functions. Elasto-plastic models involve an implicit coupling among stress increments, plastic strains and plastic variables increments. For this reason, they cannot be implemented in CM in a straightforward way. This means a very relevant limitation for the use of this tool in the analysis of geomechanical boundary value problems. In this work, a strategy to overcome this problem using the multi-physics concept is presented. A mixed method is proposed, considering the constitutive stresses, the pre-consolidation pressure and the plastic variables as main unknowns of the model. Mixed methods usually present stability problems. However, the algorithmics present in CM include several numerical strategies to minimise this kind of problems. Besides, CM is based on the application of the FEM with Lagrange multipliers, an approach that significantly contributes stability
A GPU accelerated and error-controlled solver for the unbounded Poisson equation in three dimensions
Exl, Lukas
2017-12-01
An efficient solver for the three dimensional free-space Poisson equation is presented. The underlying numerical method is based on finite Fourier series approximation. While the error of all involved approximations can be fully controlled, the overall computation error is driven by the convergence of the finite Fourier series of the density. For smooth and fast-decaying densities the proposed method will be spectrally accurate. The method scales with O(N log N) operations, where N is the total number of discretization points in the Cartesian grid. The majority of the computational costs come from fast Fourier transforms (FFT), which makes it ideal for GPU computation. Several numerical computations on CPU and GPU validate the method and show efficiency and convergence behavior. Tests are performed using the Vienna Scientific Cluster 3 (VSC3). A free MATLAB implementation for CPU and GPU is provided to the interested community.
Directory of Open Access Journals (Sweden)
Yan Chen
2017-03-01
Full Text Available Based on the vectorised and cache optimised kernel, a parallel lower upper decomposition with a novel communication avoiding pivoting scheme is developed to solve dense complex matrix equations generated by the method of moments. The fine-grain data rearrangement and assembler instructions are adopted to reduce memory accessing times and improve CPU cache utilisation, which also facilitate vectorisation of the code. Through grouping processes in a binary tree, a parallel pivoting scheme is designed to optimise the communication pattern and thus reduces the solving time of the proposed solver. Two large electromagnetic radiation problems are solved on two supercomputers, respectively, and the numerical results demonstrate that the proposed method outperforms those in open source and commercial libraries.
Hou, Jie; Dong, Jianji; Zhang, Xinliang
2017-06-15
Systems of ordinary differential equations (SODEs) are crucial for describing the dynamic behaviors in various systems such as modern control systems which require observability and controllability. In this Letter, we propose and experimentally demonstrate an all-optical SODE solver based on the silicon-on-insulator platform. We use an add/drop microring resonator to construct two different ordinary differential equations (ODEs) and then introduce two external feedback waveguides to realize the coupling between these ODEs, thus forming the SODE solver. A temporal coupled mode theory is used to deduce the expression of the SODE. A system experiment is carried out for further demonstration. For the input 10 GHz NRZ-like pulses, the measured output waveforms of the SODE solver agree well with the calculated results.
Mullenmeister, Paul
1988-01-01
The quasi-geostrophic omega-equation in flux form is developed as an example of a Poisson problem over a spherical shell. Solutions of this equation are obtained by applying a two-parameter Chebyshev solver in vector layout for CDC 200 series computers. The performance of this vectorized algorithm greatly exceeds the performance of its scalar analog. The algorithm generates solutions of the omega-equation which are compared with the omega fields calculated with the aid of the mass continuity equation.
On the implementation of an accurate and efficient solver for convection-diffusion equations
Wu, Chin-Tien
In this dissertation, we examine several different aspects of computing the numerical solution of the convection-diffusion equation. The solution of this equation often exhibits sharp gradients due to Dirichlet outflow boundaries or discontinuities in boundary conditions. Because of the singular-perturbed nature of the equation, numerical solutions often have severe oscillations when grid sizes are not small enough to resolve sharp gradients. To overcome such difficulties, the streamline diffusion discretization method can be used to obtain an accurate approximate solution in regions where the solution is smooth. To increase accuracy of the solution in the regions containing layers, adaptive mesh refinement and mesh movement based on a posteriori error estimations can be employed. An error-adapted mesh refinement strategy based on a posteriori error estimations is also proposed to resolve layers. For solving the sparse linear systems that arise from discretization, goemetric multigrid (MG) and algebraic multigrid (AMG) are compared. In addition, both methods are also used as preconditioners for Krylov subspace methods. We derive some convergence results for MG with line Gauss-Seidel smoothers and bilinear interpolation. Finally, while considering adaptive mesh refinement as an integral part of the solution process, it is natural to set a stopping tolerance for the iterative linear solvers on each mesh stage so that the difference between the approximate solution obtained from iterative methods and the finite element solution is bounded by an a posteriori error bound. Here, we present two stopping criteria. The first is based on a residual-type a posteriori error estimator developed by Verfurth. The second is based on an a posteriori error estimator, using local solutions, developed by Kay and Silvester. Our numerical results show the refined mesh obtained from the iterative solution which satisfies the second criteria is similar to the refined mesh obtained from
Liu, Yang; Bagci, Hakan; Michielssen, Eric
2013-01-01
numbers of temporal and spatial basis functions discretizing the current [Shanker et al., IEEE Trans. Antennas Propag., 51, 628-641, 2003]. In the past, serial versions of these solvers have been successfully applied to the analysis of scattering from
Extreme Scale FMM-Accelerated Boundary Integral Equation Solver for Wave Scattering
AbdulJabbar, Mustafa Abdulmajeed
2018-03-27
Algorithmic and architecture-oriented optimizations are essential for achieving performance worthy of anticipated energy-austere exascale systems. In this paper, we present an extreme scale FMM-accelerated boundary integral equation solver for wave scattering, which uses FMM as a matrix-vector multiplication inside the GMRES iterative method. Our FMM Helmholtz kernels treat nontrivial singular and near-field integration points. We implement highly optimized kernels for both shared and distributed memory, targeting emerging Intel extreme performance HPC architectures. We extract the potential thread- and data-level parallelism of the key Helmholtz kernels of FMM. Our application code is well optimized to exploit the AVX-512 SIMD units of Intel Skylake and Knights Landing architectures. We provide different performance models for tuning the task-based tree traversal implementation of FMM, and develop optimal architecture-specific and algorithm aware partitioning, load balancing, and communication reducing mechanisms to scale up to 6,144 compute nodes of a Cray XC40 with 196,608 hardware cores. With shared memory optimizations, we achieve roughly 77% of peak single precision floating point performance of a 56-core Skylake processor, and on average 60% of peak single precision floating point performance of a 72-core KNL. These numbers represent nearly 5.4x and 10x speedup on Skylake and KNL, respectively, compared to the baseline scalar code. With distributed memory optimizations, on the other hand, we report near-optimal efficiency in the weak scalability study with respect to both the logarithmic communication complexity as well as the theoretical scaling complexity of FMM. In addition, we exhibit up to 85% efficiency in strong scaling. We compute in excess of 2 billion DoF on the full-scale of the Cray XC40 supercomputer.
High-Order Finite-Difference Solution of the Poisson Equation with Interface Jump Conditions II
Marques, Alexandre; Nave, Jean-Christophe; Rosales, Rodolfo
2010-11-01
The Poisson equation with jump discontinuities across an interface is of central importance in Computational Fluid Dynamics. In prior work, Marques, Nave, and Rosales have introduced a method to obtain fourth-order accurate solutions for the constant coefficient Poisson problem. Here we present an extension of this method to solve the variable coefficient Poisson problem to fourth-order of accuracy. The extended method is based on local smooth extrapolations of the solution field across the interface. The extrapolation procedure uses a combination of cubic Hermite interpolants and a high-order representation of the interface using the Gradient-Augmented Level-Set technique. This procedure is compatible with the use of standard discretizations for the Laplace operator, and leads to modified linear systems which have the same sparsity pattern as the standard discretizations. As a result, standard Poisson solvers can be used with only minimal modifications. Details of the method and applications will be presented.
Bernede, Adrien; Poëtte, Gaël
2018-02-01
In this paper, we are interested in the resolution of the time-dependent problem of particle transport in a medium whose composition evolves with time due to interactions. As a constraint, we want to use of Monte-Carlo (MC) scheme for the transport phase. A common resolution strategy consists in a splitting between the MC/transport phase and the time discretization scheme/medium evolution phase. After going over and illustrating the main drawbacks of split solvers in a simplified configuration (monokinetic, scalar Bateman problem), we build a new Unsplit MC (UMC) solver improving the accuracy of the solutions, avoiding numerical instabilities, and less sensitive to time discretization. The new solver is essentially based on a Monte Carlo scheme with time dependent cross sections implying the on-the-fly resolution of a reduced model for each MC particle describing the time evolution of the matter along their flight path.
SU-E-T-22: A Deterministic Solver of the Boltzmann-Fokker-Planck Equation for Dose Calculation
Energy Technology Data Exchange (ETDEWEB)
Hong, X; Gao, H [Shanghai Jiao Tong University, Shanghai, Shanghai (China); Paganetti, H [Massachusetts General Hospital, Boston, MA (United States)
2015-06-15
Purpose: The Boltzmann-Fokker-Planck equation (BFPE) accurately models the migration of photons/charged particles in tissues. While the Monte Carlo (MC) method is popular for solving BFPE in a statistical manner, we aim to develop a deterministic BFPE solver based on various state-of-art numerical acceleration techniques for rapid and accurate dose calculation. Methods: Our BFPE solver is based on the structured grid that is maximally parallelizable, with the discretization in energy, angle and space, and its cross section coefficients are derived or directly imported from the Geant4 database. The physical processes that are taken into account are Compton scattering, photoelectric effect, pair production for photons, and elastic scattering, ionization and bremsstrahlung for charged particles.While the spatial discretization is based on the diamond scheme, the angular discretization synergizes finite element method (FEM) and spherical harmonics (SH). Thus, SH is used to globally expand the scattering kernel and FFM is used to locally discretize the angular sphere. As a Result, this hybrid method (FEM-SH) is both accurate in dealing with forward-peaking scattering via FEM, and efficient for multi-energy-group computation via SH. In addition, FEM-SH enables the analytical integration in energy variable of delta scattering kernel for elastic scattering with reduced truncation error from the numerical integration based on the classic SH-based multi-energy-group method. Results: The accuracy of the proposed BFPE solver was benchmarked against Geant4 for photon dose calculation. In particular, FEM-SH had improved accuracy compared to FEM, while both were within 2% of the results obtained with Geant4. Conclusion: A deterministic solver of the Boltzmann-Fokker-Planck equation is developed for dose calculation, and benchmarked against Geant4. Xiang Hong and Hao Gao were partially supported by the NSFC (#11405105), the 973 Program (#2015CB856000) and the Shanghai Pujiang
Feki, Saber
2013-07-01
An explicit marching-on-in-time (MOT)-based time-domain volume integral equation (TDVIE) solver has recently been developed for characterizing transient electromagnetic wave interactions on arbitrarily shaped dielectric bodies (A. Al-Jarro et al., IEEE Trans. Antennas Propag., vol. 60, no. 11, 2012). The solver discretizes the spatio-temporal convolutions of the source fields with the background medium\\'s Green function using nodal discretization in space and linear interpolation in time. The Green tensor, which involves second order spatial and temporal derivatives, is computed using finite differences on the temporal and spatial grid. A predictor-corrector algorithm is used to maintain the stability of the MOT scheme. The simplicity of the discretization scheme permits the computation of the discretized spatio-temporal convolutions on the fly during time marching; no \\'interaction\\' matrices are pre-computed or stored resulting in a memory efficient scheme. As a result, most often the applicability of this solver to the characterization of wave interactions on electrically large structures is limited by the computation time but not the memory. © 2013 IEEE.
DEFF Research Database (Denmark)
Pandey, Bishwajeet; Pandey, Sujeet; Sharma, Shivani
2016-01-01
In this paper, we are integrating clock gating in design of energy efficient equation solver circuits based on Vedic mathematics. Clock gating is one of the best energy efficient techniques. The Sutra 'SunyamSamyasamuccaye' says thatif sum of numerator and sum of denominator is same then we can e......, 94.54% for 1800MHz, and 94.02% for 2.2GHz, when we use gated clock instead of un gated one on 40nm FPGA and temperature is 329.85K. Power consumption in 28nm FPGA is less than 40nm FPGA....
GPU TECHNOLOGIES EMBODIED IN PARALLEL SOLVERS OF LINEAR ALGEBRAIC EQUATION SYSTEMS
Directory of Open Access Journals (Sweden)
Sidorov Alexander Vladimirovich
2012-10-01
Full Text Available The author reviews existing shareware solvers that are operated by graphical computer devices. The purpose of this review is to explore the opportunities and limitations of the above parallel solvers applicable for resolution of linear algebraic problems that arise at Research and Educational Centre of Computer Modeling at MSUCE, and Research and Engineering Centre STADYO. The author has explored new applications of the GPU in the PETSc suite and compared them with the results generated absent of the GPU. The research is performed within the CUSP library developed to resolve the problems of linear algebra through the application of GPU. The author has also reviewed the new MAGMA project which is analogous to LAPACK for the GPU.
A new iterative solver for the time-harmonic wave equation
Riyanti, C.D.; Erlangga, Y.A.; Plessix, R.E.; Mulder, W.A.; Vuik, C.; Oosterlee, C.
2006-01-01
The time-harmonic wave equation, also known as the Helmholtz equation, is obtained if the constant-density acoustic wave equation is transformed from the time domain to the frequency domain. Its discretization results in a large, sparse, linear system of equations. In two dimensions, this system can
Li, Changping; Park, Kihong; Alouini, Mohamed-Slim
2015-01-01
In this letter, we propose a fast numerical solution for the steady state radiative transfer equation based on the approach in [1] in order to calculate the optical path loss of light propagation suffering from attenuation due to the absorption and scattering in various water types. We apply an optimal non-uniform method to discretize the angular space and an upwind type finite difference method to discretize the spatial space. A Gauss-Seidel iterative method is then applied to solve the fully discretized system of linear equations. Finally, we extend the resulting radiance in 2-dimensional to 3-dimensional by the azimuthal symmetric assumption to compute the received optical power under the given receiver aperture and field of view. The accuracy and efficiency of the proposed scheme are validated by uniform RTE solver and Monte Carlo simulations.
Li, Changping
2015-07-22
In this letter, we propose a fast numerical solution for the steady state radiative transfer equation based on the approach in [1] in order to calculate the optical path loss of light propagation suffering from attenuation due to the absorption and scattering in various water types. We apply an optimal non-uniform method to discretize the angular space and an upwind type finite difference method to discretize the spatial space. A Gauss-Seidel iterative method is then applied to solve the fully discretized system of linear equations. Finally, we extend the resulting radiance in 2-dimensional to 3-dimensional by the azimuthal symmetric assumption to compute the received optical power under the given receiver aperture and field of view. The accuracy and efficiency of the proposed scheme are validated by uniform RTE solver and Monte Carlo simulations.
International Nuclear Information System (INIS)
Hindmarsh, A.D.; Brown, P.N.
1996-01-01
1 - Description of program or function: LSODKR is a new initial value ODE solver for stiff and non-stiff systems. It is a variant of the LSODPK and LSODE solvers, intended mainly for large stiff systems. The main differences between LSODKR and LSODE are the following: a) for stiff systems, LSODKR uses a corrector iteration composed of Newton iteration and one of four preconditioned Krylov subspace iteration methods. The user must supply routines for the preconditioning operations, b) within the corrector iteration, LSODKR does automatic switching between functional (fix point) iteration and modified Newton iteration, c) LSODKR includes the ability to find roots of given functions of the solution during the integration. 2 - Method of solution: Integration is by Adams or BDF (Backward Differentiation Formula) methods, at user option. Corrector iteration is by Newton or fix point iteration, determined dynamically. Linear system solution is by a preconditioned Krylov iteration, selected by user from Incomplete Orthogonalization Method, Generalized Minimum Residual Method, and two variants of Preconditioned Conjugate Gradient Method. Preconditioning is to be supplied by the user. 3 - Restrictions on the complexity of the problem: None
The Closest Point Method and Multigrid Solvers for Elliptic Equations on Surfaces
Chen, Yujia; Macdonald, Colin B.
2015-01-01
© 2015 Society for Industrial and Applied Mathematics. Elliptic partial differential equations are important from both application and analysis points of view. In this paper we apply the closest point method to solve elliptic equations on general
First-arrival Tomography Using the Double-square-root Equation Solver Stepping in Subsurface Offset
Serdyukov, A.S.; Duchkov, A.A.
2013-01-01
Double-square-root (DSR) equation can be viewed as a Hamilton-Jacobi equation describing kinematics of downward data continuation in depth. It describes simultaneous propagation of source and receiver rays assuming that they are nowhere horizontal
International Nuclear Information System (INIS)
Hindmarsh, A.C.; Petzold, L.R.
2005-01-01
1 - Description of program or function: LSODKR is a new initial value ODE solver for stiff and non-stiff systems. It is a variant of the LSODPK and LSODE solvers, intended mainly for large stiff systems. The main differences between LSODKR and LSODE are the following: a) for stiff systems, LSODKR uses a corrector iteration composed of Newton iteration and one of four preconditioned Krylov subspace iteration methods. The user must supply routines for the preconditioning operations, b) within the corrector iteration, LSODKR does automatic switching between functional (fix point) iteration and modified Newton iteration, The nonlinear iteration method-switching differs from the method-switching in LSODA and LSODAR, but provides similar savings by using the cheaper method in the non-stiff regions of the problem. c) LSODKR includes the ability to find roots of given functions of the solution during the integration. d) LSODKR also improves on the Krylov methods in LSODPK by offering the option to save and reuse the approximate Jacobian data underlying the pre-conditioner. The LSODKR source is commented extensively to facilitate modification. Both a single-precision version and a double-precision version are available. 2 - Methods: It is assumed that the ODEs are given explicitly, so that the system can be written in the form dy/dt = f(t,y), where y is the vector of dependent variables, and t is the independent variable. Integration is by Adams or BDF (Backward Differentiation Formula) methods, at user option. Corrector iteration is by Newton or fix point iteration, determined dynamically. Linear system solution is by a preconditioned Krylov iteration, selected by user from Incomplete Orthogonalization Method, Generalized Minimum Residual Method, and two variants of Preconditioned Conjugate Gradient Method. Preconditioning is to be supplied by the user
A non-conforming 3D spherical harmonic transport solver
Energy Technology Data Exchange (ETDEWEB)
Van Criekingen, S. [Commissariat a l' Energie Atomique CEA-Saclay, DEN/DM2S/SERMA/LENR Bat 470, 91191 Gif-sur-Yvette, Cedex (France)
2006-07-01
A new 3D transport solver for the time-independent Boltzmann transport equation has been developed. This solver is based on the second-order even-parity form of the transport equation. The angular discretization is performed through the expansion of the angular neutron flux in spherical harmonics (PN method). The novelty of this solver is the use of non-conforming finite elements for the spatial discretization. Such elements lead to a discontinuous flux approximation. This interface continuity requirement relaxation property is shared with mixed-dual formulations such as the ones based on Raviart-Thomas finite elements. Encouraging numerical results are presented. (authors)
A non-conforming 3D spherical harmonic transport solver
International Nuclear Information System (INIS)
Van Criekingen, S.
2006-01-01
A new 3D transport solver for the time-independent Boltzmann transport equation has been developed. This solver is based on the second-order even-parity form of the transport equation. The angular discretization is performed through the expansion of the angular neutron flux in spherical harmonics (PN method). The novelty of this solver is the use of non-conforming finite elements for the spatial discretization. Such elements lead to a discontinuous flux approximation. This interface continuity requirement relaxation property is shared with mixed-dual formulations such as the ones based on Raviart-Thomas finite elements. Encouraging numerical results are presented. (authors)
Burtyka, Filipp
2018-03-01
The paper firstly considers the problem of finding solvents for arbitrary unilateral polynomial matrix equations with second-order matrices over prime finite fields from the practical point of view: we implement the solver for this problem. The solver’s algorithm has two step: the first is finding solvents, having Jordan Normal Form (JNF), the second is finding solvents among the rest matrices. The first step reduces to the finding roots of usual polynomials over finite fields, the second is essentially exhaustive search. The first step’s algorithms essentially use the polynomial matrices theory. We estimate the practical duration of computations using our software implementation (for example that one can’t construct unilateral matrix polynomial over finite field, having any predefined number of solvents) and answer some theoretically-valued questions.
An efficient explicit marching on in time solver for magnetic field volume integral equation
Sayed, Sadeed Bin; Ulku, H. Arda; Bagci, Hakan
2015-01-01
An efficient explicit marching on in time (MOT) scheme for solving the magnetic field volume integral equation is proposed. The MOT system is cast in the form of an ordinary differential equation and is integrated in time using a PE(CE)m multistep
An explicit marching on-in-time solver for the time domain volume magnetic field integral equation
Sayed, Sadeed Bin
2014-07-01
Transient scattering from inhomogeneous dielectric objects can be modeled using time domain volume integral equations (TDVIEs). TDVIEs are oftentimes solved using marching on-in-time (MOT) techniques. Classical MOT-TDVIE solvers expand the field induced on the scatterer using local spatio-temporal basis functions. Inserting this expansion into the TDVIE and testing the resulting equation in space and time yields a system of equations that is solved by time marching. Depending on the type of the basis and testing functions and the time step, the time marching scheme can be implicit (N. T. Gres, et al., Radio Sci., 36(3), 379-386, 2001) or explicit (A. Al-Jarro, et al., IEEE Trans. Antennas Propag., 60(11), 5203-5214, 2012). Implicit MOT schemes are known to be more stable and accurate. However, under low-frequency excitation, i.e., when the time step size is large, they call for inversion of a full matrix system at very time step.
An explicit marching on-in-time solver for the time domain volume magnetic field integral equation
Sayed, Sadeed Bin; Ulku, Huseyin Arda; Bagci, Hakan
2014-01-01
Transient scattering from inhomogeneous dielectric objects can be modeled using time domain volume integral equations (TDVIEs). TDVIEs are oftentimes solved using marching on-in-time (MOT) techniques. Classical MOT-TDVIE solvers expand the field induced on the scatterer using local spatio-temporal basis functions. Inserting this expansion into the TDVIE and testing the resulting equation in space and time yields a system of equations that is solved by time marching. Depending on the type of the basis and testing functions and the time step, the time marching scheme can be implicit (N. T. Gres, et al., Radio Sci., 36(3), 379-386, 2001) or explicit (A. Al-Jarro, et al., IEEE Trans. Antennas Propag., 60(11), 5203-5214, 2012). Implicit MOT schemes are known to be more stable and accurate. However, under low-frequency excitation, i.e., when the time step size is large, they call for inversion of a full matrix system at very time step.
An Exact, Compressible One-Dimensional Riemann Solver for General, Convex Equations of State
Energy Technology Data Exchange (ETDEWEB)
Kamm, James Russell [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2015-03-05
This note describes an algorithm with which to compute numerical solutions to the one- dimensional, Cartesian Riemann problem for compressible flow with general, convex equations of state. While high-level descriptions of this approach are to be found in the literature, this note contains most of the necessary details required to write software for this problem. This explanation corresponds to the approach used in the source code that evaluates solutions for the 1D, Cartesian Riemann problem with a JWL equation of state in the ExactPack package [16, 29]. Numerical examples are given with the proposed computational approach for a polytropic equation of state and for the JWL equation of state.
The Closest Point Method and Multigrid Solvers for Elliptic Equations on Surfaces
Chen, Yujia
2015-01-01
© 2015 Society for Industrial and Applied Mathematics. Elliptic partial differential equations are important from both application and analysis points of view. In this paper we apply the closest point method to solve elliptic equations on general curved surfaces. Based on the closest point representation of the underlying surface, we formulate an embedding equation for the surface elliptic problem, then discretize it using standard finite differences and interpolation schemes on banded but uniform Cartesian grids. We prove the convergence of the difference scheme for the Poisson\\'s equation on a smooth closed curve. In order to solve the resulting large sparse linear systems, we propose a specific geometric multigrid method in the setting of the closest point method. Convergence studies in both the accuracy of the difference scheme and the speed of the multigrid algorithm show that our approaches are effective.
First-arrival Tomography Using the Double-square-root Equation Solver Stepping in Subsurface Offset
Serdyukov, A.S.
2013-01-01
Double-square-root (DSR) equation can be viewed as a Hamilton-Jacobi equation describing kinematics of downward data continuation in depth. It describes simultaneous propagation of source and receiver rays assuming that they are nowhere horizontal. Thus it is not suitable for describing diving waves. This equation can be rewritten in a new form when stepping is made in subsurface offset instead of depth. In this form it can be used for describing traveltimes of diving waves in prestack seismic data. This equation can be solved using WENO-RK numerical scheme. Prestack traveltimes (for multiple sources) can be computed in one run thus speeding up solution of the forward problem. We derive linearized version of this new DSR equation that can be used for tomographic inversion of first-arrival traveltimes. Here we used a ray-based tomographic inversion consisting of the following steps: get numerical solution of the offset DSR equation in the background velocity model, back trace DSR rays connecting receivers to sources, update velocity model using truncated SVD pseudoinverse. This approach was tested on a synthetic model generating diving waves.
Numerical solver for compressible two-fluid flow
J. Naber (Jorick)
2005-01-01
textabstractThis report treats the development of a numerical solver for the simulation of flows of two non-mixing fluids described by the two-dimensional Euler equations. A level-set equation in conservative form describes the interface. After each time step the deformed level-set function is
An integral equation-based numerical solver for Taylor states in toroidal geometries
O'Neil, Michael; Cerfon, Antoine J.
2018-04-01
We present an algorithm for the numerical calculation of Taylor states in toroidal and toroidal-shell geometries using an analytical framework developed for the solution to the time-harmonic Maxwell equations. Taylor states are a special case of what are known as Beltrami fields, or linear force-free fields. The scheme of this work relies on the generalized Debye source representation of Maxwell fields and an integral representation of Beltrami fields which immediately yields a well-conditioned second-kind integral equation. This integral equation has a unique solution whenever the Beltrami parameter λ is not a member of a discrete, countable set of resonances which physically correspond to spontaneous symmetry breaking. Several numerical examples relevant to magnetohydrodynamic equilibria calculations are provided. Lastly, our approach easily generalizes to arbitrary geometries, both bounded and unbounded, and of varying genus.
Young-Laplace equation for liquid crystal interfaces
Rey, Alejandro D.
2000-12-01
This letter uses the classical theories of liquid crystal physics to derive the Young-Laplace equation of capillary hydrostatics for interfaces between viscous isotropic (I) fluids and nematic liquid crystals (NLC's), and establishes the existence of four energy contributions to pressure jumps across these unusual anisotropic interfaces. It is shown that in addition to the usual curvature contribution, bulk and surface gradient elasticity, elastic stress, and anchoring energy contribute to pressure differentials across the interface. The magnitude of the effect is proportional to the elastic moduli of the NLC, and to the bulk and surface orientation gradients that may be present in the nematic phase. In contrast to the planar interface between isotropic fluids, flat liquid crystal interfaces support pressure jumps if elastic stresses, bulk and surface gradient energy, and/or anchoring energies are finite.
Li, Changping
2014-11-10
In this report, we propose a fast numerical solution for the steady state radiative transfer equation in order to calculate the path loss due to light absorption and scattering in various type of underwater channels. In the proposed scheme, we apply a direct non-uniform method to discretize the angular space and an upwind type finite difference method to discretize the spatial space. A Gauss-Seidel iterative method is then applied to solve the fully discretized system of linear equations. The accuracy and efficiency of the proposed scheme is validated by Monte Carlo simulations.
Li, Changping; Park, Ki-Hong; Alouini, Mohamed-Slim
2014-01-01
In this report, we propose a fast numerical solution for the steady state radiative transfer equation in order to calculate the path loss due to light absorption and scattering in various type of underwater channels. In the proposed scheme, we apply a direct non-uniform method to discretize the angular space and an upwind type finite difference method to discretize the spatial space. A Gauss-Seidel iterative method is then applied to solve the fully discretized system of linear equations. The accuracy and efficiency of the proposed scheme is validated by Monte Carlo simulations.
Limiting precision in differential equation solvers. II Sources of trouble and starting a code
International Nuclear Information System (INIS)
Shampine, L.F.
1978-01-01
The reasons a class of codes for solving ordinary differential equations might want to use an extremely small step size are investigated. For this class the likelihood of precision difficulties is evaluated and remedies examined. The investigations suggests a way of selecting automatically an initial step size which should be reliably on scale
A high order multi-resolution solver for the Poisson equation with application to vortex methods
DEFF Research Database (Denmark)
Hejlesen, Mads Mølholm; Spietz, Henrik Juul; Walther, Jens Honore
A high order method is presented for solving the Poisson equation subject to mixed free-space and periodic boundary conditions by using fast Fourier transforms (FFT). The high order convergence is achieved by deriving mollified Green’s functions from a high order regularization function which...
CIP - a new numerical solver for general nonlinear hyperbolic equations in multi-dimension
International Nuclear Information System (INIS)
Yabe, Takashi; Takewaki, Hideaki.
1986-12-01
A new method CIP (Cubic-Interpolated Pseudo-particle) to solve hyperbolic equations is proposed. The method gives a stable and less diffusive result for square wave propagation compared with FCT (Flux-Corrected Transport) and a better result for propagation of a sine wave with a discontinuity. The scheme is extended to nonlinear and multi-dimensional problems. (orig.) [de
An efficient explicit marching on in time solver for magnetic field volume integral equation
Sayed, Sadeed Bin
2015-07-25
An efficient explicit marching on in time (MOT) scheme for solving the magnetic field volume integral equation is proposed. The MOT system is cast in the form of an ordinary differential equation and is integrated in time using a PE(CE)m multistep scheme. At each time step, a system with a Gram matrix is solved for the predicted/corrected field expansion coefficients. Depending on the type of spatial testing scheme Gram matrix is sparse or consists of blocks with only diagonal entries regardless of the time step size. Consequently, the resulting MOT scheme is more efficient than its implicit counterparts, which call for inversion of fuller matrix system at lower frequencies. Numerical results, which demonstrate the efficiency, accuracy, and stability of the proposed MOT scheme, are presented.
Cao, Jian; Chen, Jing-Bo; Dai, Meng-Xue
2018-01-01
An efficient finite-difference frequency-domain modeling of seismic wave propagation relies on the discrete schemes and appropriate solving methods. The average-derivative optimal scheme for the scalar wave modeling is advantageous in terms of the storage saving for the system of linear equations and the flexibility for arbitrary directional sampling intervals. However, using a LU-decomposition-based direct solver to solve its resulting system of linear equations is very costly for both memory and computational requirements. To address this issue, we consider establishing a multigrid-preconditioned BI-CGSTAB iterative solver fit for the average-derivative optimal scheme. The choice of preconditioning matrix and its corresponding multigrid components is made with the help of Fourier spectral analysis and local mode analysis, respectively, which is important for the convergence. Furthermore, we find that for the computation with unequal directional sampling interval, the anisotropic smoothing in the multigrid precondition may affect the convergence rate of this iterative solver. Successful numerical applications of this iterative solver for the homogenous and heterogeneous models in 2D and 3D are presented where the significant reduction of computer memory and the improvement of computational efficiency are demonstrated by comparison with the direct solver. In the numerical experiments, we also show that the unequal directional sampling interval will weaken the advantage of this multigrid-preconditioned iterative solver in the computing speed or, even worse, could reduce its accuracy in some cases, which implies the need for a reasonable control of directional sampling interval in the discretization.
Chen, Kaisheng; Hou, Jie; Huang, Zhuyang; Cao, Tong; Zhang, Jihua; Yu, Yuan; Zhang, Xinliang
2015-02-09
We experimentally demonstrate an all-optical temporal computation scheme for solving 1st- and 2nd-order linear ordinary differential equations (ODEs) with tunable constant coefficients by using Fabry-Pérot semiconductor optical amplifiers (FP-SOAs). By changing the injection currents of FP-SOAs, the constant coefficients of the differential equations are practically tuned. A quite large constant coefficient tunable range from 0.0026/ps to 0.085/ps is achieved for the 1st-order differential equation. Moreover, the constant coefficient p of the 2nd-order ODE solver can be continuously tuned from 0.0216/ps to 0.158/ps, correspondingly with the constant coefficient q varying from 0.0000494/ps(2) to 0.006205/ps(2). Additionally, a theoretical model that combining the carrier density rate equation of the semiconductor optical amplifier (SOA) with the transfer function of the Fabry-Pérot (FP) cavity is exploited to analyze the solving processes. For both 1st- and 2nd-order solvers, excellent agreements between the numerical simulations and the experimental results are obtained. The FP-SOAs based all-optical differential-equation solvers can be easily integrated with other optical components based on InP/InGaAsP materials, such as laser, modulator, photodetector and waveguide, which can motivate the realization of the complicated optical computing on a single integrated chip.
Spherical space Bessel-Legendre-Fourier mode solver for Maxwell's wave equations
Alzahrani, Mohammed A.; Gauthier, Robert C.
2015-02-01
For spherically symmetric dielectric structures, a basis set composed of Bessel, Legendre and Fourier functions, BLF, are used to cast Maxwell's wave equations into an eigenvalue problem from which the localized modes can be determined. The steps leading to the eigenmatrix are reviewed and techniques used to reduce the order of matrix and tune the computations for particular mode types are detailed. The BLF basis functions are used to expand the electric and magnetic fields as well as the inverse relative dielectric profile. Similar to the common plane wave expansion technique, the BLF matrix returns the eigen-frequencies and eigenvectors, but in BLF only steady states, non-propagated, are obtained. The technique is first applied to a air filled spherical structure with perfectly conducting outer surface and then to a spherical microsphere located in air. Results are compared published values were possible.
Energy Technology Data Exchange (ETDEWEB)
Decker, J.; Peysson, Y
2004-12-01
A new original code for solving the 3-D relativistic and bounce-averaged electron drift kinetic equation is presented. It designed for the current drive problem in tokamak with an arbitrary magnetic equilibrium. This tool allows self-consistent calculations of the bootstrap current in presence of other external current sources. RF current drive for arbitrary type of waves may be used. Several moments of the electron distribution function are determined, like the exact and effective fractions of trapped electrons, the plasma current, absorbed RF power, runaway and magnetic ripple loss rates and non-thermal Bremsstrahlung. Advanced numerical techniques have been used to make it the first fully implicit (reverse time) 3-D solver, particularly well designed for implementation in a chain of code for realistic current drive calculations in high {beta}{sub p} plasmas. All the details of the physics background and the numerical scheme are presented, as well a some examples to illustrate main code capabilities. Several important numerical points are addressed concerning code stability and potential numerical and physical limitations. (authors)
International Nuclear Information System (INIS)
Decker, J.; Peysson, Y.
2004-12-01
A new original code for solving the 3-D relativistic and bounce-averaged electron drift kinetic equation is presented. It designed for the current drive problem in tokamak with an arbitrary magnetic equilibrium. This tool allows self-consistent calculations of the bootstrap current in presence of other external current sources. RF current drive for arbitrary type of waves may be used. Several moments of the electron distribution function are determined, like the exact and effective fractions of trapped electrons, the plasma current, absorbed RF power, runaway and magnetic ripple loss rates and non-thermal Bremsstrahlung. Advanced numerical techniques have been used to make it the first fully implicit (reverse time) 3-D solver, particularly well designed for implementation in a chain of code for realistic current drive calculations in high β p plasmas. All the details of the physics background and the numerical scheme are presented, as well a some examples to illustrate main code capabilities. Several important numerical points are addressed concerning code stability and potential numerical and physical limitations. (authors)
Energy Technology Data Exchange (ETDEWEB)
Lloyd, S. A. M.; Ansbacher, W. [Department of Physics and Astronomy, University of Victoria, Victoria, British Columbia V8W 3P6 (Canada); Department of Physics and Astronomy, University of Victoria, Victoria, British Columbia V8W 3P6 (Canada) and Department of Medical Physics, British Columbia Cancer Agency-Vancouver Island Centre, Victoria, British Columbia V8R 6V5 (Canada)
2013-01-15
Purpose: Acuros external beam (Acuros XB) is a novel dose calculation algorithm implemented through the ECLIPSE treatment planning system. The algorithm finds a deterministic solution to the linear Boltzmann transport equation, the same equation commonly solved stochastically by Monte Carlo methods. This work is an evaluation of Acuros XB, by comparison with Monte Carlo, for dose calculation applications involving high-density materials. Existing non-Monte Carlo clinical dose calculation algorithms, such as the analytic anisotropic algorithm (AAA), do not accurately model dose perturbations due to increased electron scatter within high-density volumes. Methods: Acuros XB, AAA, and EGSnrc based Monte Carlo are used to calculate dose distributions from 18 MV and 6 MV photon beams delivered to a cubic water phantom containing a rectangular high density (4.0-8.0 g/cm{sup 3}) volume at its center. The algorithms are also used to recalculate a clinical prostate treatment plan involving a unilateral hip prosthesis, originally evaluated using AAA. These results are compared graphically and numerically using gamma-index analysis. Radio-chromic film measurements are presented to augment Monte Carlo and Acuros XB dose perturbation data. Results: Using a 2% and 1 mm gamma-analysis, between 91.3% and 96.8% of Acuros XB dose voxels containing greater than 50% the normalized dose were in agreement with Monte Carlo data for virtual phantoms involving 18 MV and 6 MV photons, stainless steel and titanium alloy implants and for on-axis and oblique field delivery. A similar gamma-analysis of AAA against Monte Carlo data showed between 80.8% and 87.3% agreement. Comparing Acuros XB and AAA evaluations of a clinical prostate patient plan involving a unilateral hip prosthesis, Acuros XB showed good overall agreement with Monte Carlo while AAA underestimated dose on the upstream medial surface of the prosthesis due to electron scatter from the high-density material. Film measurements
2016-06-08
Ideal Magnetohydrodynamics,” J. Com- put. Phys., Vol. 153, No. 2, 1999, pp. 334–352. [14] Tang, H.-Z. and Xu, K., “A high-order gas -kinetic method for...notwithstanding any other provision of law , no person shall be subject to any penalty for failing to comply with a collection of information if it does...Riemann-solver-free spacetime discontinuous Galerkin method for general conservation laws to solve compressible magnetohydrodynamics (MHD) equations. The
Chavez, Gustavo Ivan
2017-07-10
This dissertation introduces a novel fast direct solver and preconditioner for the solution of block tridiagonal linear systems that arise from the discretization of elliptic partial differential equations on a Cartesian product mesh, such as the variable-coefficient Poisson equation, the convection-diffusion equation, and the wave Helmholtz equation in heterogeneous media. The algorithm extends the traditional cyclic reduction method with hierarchical matrix techniques. The resulting method exposes substantial concurrency, and its arithmetic operations and memory consumption grow only log-linearly with problem size, assuming bounded rank of off-diagonal matrix blocks, even for problems with arbitrary coefficient structure. The method can be used as a standalone direct solver with tunable accuracy, or as a black-box preconditioner in conjunction with Krylov methods. The challenges that distinguish this work from other thrusts in this active field are the hybrid distributed-shared parallelism that can demonstrate the algorithm at large-scale, full three-dimensionality, and the three stressors of the current state-of-the-art multigrid technology: high wavenumber Helmholtz (indefiniteness), high Reynolds convection (nonsymmetry), and high contrast diffusion (inhomogeneity). Numerical experiments corroborate the robustness, accuracy, and complexity claims and provide a baseline of the performance and memory footprint by comparisons with competing approaches such as the multigrid solver hypre, and the STRUMPACK implementation of the multifrontal factorization with hierarchically semi-separable matrices. The companion implementation can utilize many thousands of cores of Shaheen, KAUST\\'s Haswell-based Cray XC-40 supercomputer, and compares favorably with other implementations of hierarchical solvers in terms of time-to-solution and memory consumption.
Glenn Heat Transfer Simulation and Solver Graphical User Interface: Development and Testing
Kardamis, Joseph R.
2004-01-01
this process with a graphical user interface (GUI) that combines the functionality of all the executables along with adding some new functionality, such as residuals graphing and boundary conditions creation. Upon my beginning here at Glenn, many parts of the GUI, which was developed in Java, were nonfunctional. There were also issues with cross-platforming, as systems in the branch were transitioning from Silicon Graphics (SGI) machines to Linux machines. My goals this summer are to finish the parts of the GUI that are not yet completed, fix parts that did not work correctly, expand the functionality to include other useful features, such as grid surface highlighting, and make the system compatible with both Linux and SGI. I will also be heavily testing the system and providing sufficient documentation on how to use the GUI, as no such documentation existed previously.
A multi-solver quasi-Newton method for the partitioned simulation of fluid-structure interaction
International Nuclear Information System (INIS)
Degroote, J; Annerel, S; Vierendeels, J
2010-01-01
In partitioned fluid-structure interaction simulations, the flow equations and the structural equations are solved separately. Consequently, the stresses and displacements on both sides of the fluid-structure interface are not automatically in equilibrium. Coupling techniques like Aitken relaxation and the Interface Block Quasi-Newton method with approximate Jacobians from Least-Squares models (IBQN-LS) enforce this equilibrium, even with black-box solvers. However, all existing coupling techniques use only one flow solver and one structural solver. To benefit from the large number of multi-core processors in modern clusters, a new Multi-Solver Interface Block Quasi-Newton (MS-IBQN-LS) algorithm has been developed. This algorithm uses more than one flow solver and structural solver, each running in parallel on a number of cores. One-dimensional and three-dimensional numerical experiments demonstrate that the run time of a simulation decreases as the number of solvers increases, albeit at a slower pace. Hence, the presented multi-solver algorithm accelerates fluid-structure interaction calculations by increasing the number of solvers, especially when the run time does not decrease further if more cores are used per solver.
Han, Song; Zhang, Wei; Zhang, Jie
2017-09-01
A fast sweeping method (FSM) determines the first arrival traveltimes of seismic waves by sweeping the velocity model in different directions meanwhile applying a local solver. It is an efficient way to numerically solve Hamilton-Jacobi equations for traveltime calculations. In this study, we develop an improved FSM to calculate the first arrival traveltimes of quasi-P (qP) waves in 2-D tilted transversely isotropic (TTI) media. A local solver utilizes the coupled slowness surface of qP and quasi-SV (qSV) waves to form a quartic equation, and solve it numerically to obtain possible traveltimes of qP-wave. The proposed quartic solver utilizes Fermat's principle to limit the range of the possible solution, then uses the bisection procedure to efficiently determine the real roots. With causality enforced during sweepings, our FSM converges fast in a few iterations, and the exact number depending on the complexity of the velocity model. To improve the accuracy, we employ high-order finite difference schemes and derive the second-order formulae. There is no weak anisotropy assumption, and no approximation is made to the complex slowness surface of qP-wave. In comparison to the traveltimes calculated by a horizontal slowness shooting method, the validity and accuracy of our FSM is demonstrated.
1989-04-13
DIMENSION HXU(N),HXV(NI), HYU (N),HYV(N) DIMENSION AA(N),AC(N),CC(N) DIMENSION Tl(N),T2(N),T3(N),T4(N) DIMENSION DUM3(M,N) C SET COEFFICIENTS OF DIFFERENCE...DELXSQ=DELX*DELX DELYSQ=DELY*DELY C DEFINE MAP FACTORS DO 10 J=1,N HXU(J)=COS(Y(J)/AR) HYU (J)=I.O 10 CONTINUE 31 DO 20 J-1,Nl HXV(J)-0.5*(HXU(J)+HXU(J+l...L.H.S. OF DIFFERENCE EQUATION. C COEFFICIENTS DEFINED IN INTERIOR OF DOMAIN ONLY. DO 25 J=2,N-1, AA(J)=( (HXU(J)*HXV(J-1) )/I(HYV(J.-1)* HYU (J
Energy Technology Data Exchange (ETDEWEB)
Yoon, E. S.; Chang, C. S., E-mail: cschang@pppl.gov [Princeton Plasma Physics Laboratory, Princeton University, Princeton, New Jersey 08543 (United States); Korea Advanced Institute of Science and Technology, Yuseong-gu, DaeJeon 305-701 (Korea, Republic of)
2014-03-15
An approximate two-dimensional solver of the nonlinear Fokker-Planck-Landau collision operator has been developed using the assumption that the particle probability distribution function is independent of gyroangle in the limit of strong magnetic field. The isotropic one-dimensional scheme developed for nonlinear Fokker-Planck-Landau equation by Buet and Cordier [J. Comput. Phys. 179, 43 (2002)] and for linear Fokker-Planck-Landau equation by Chang and Cooper [J. Comput. Phys. 6, 1 (1970)] have been modified and extended to two-dimensional nonlinear equation. In addition, a method is suggested to apply the new velocity-grid based collision solver to Lagrangian particle-in-cell simulation by adjusting the weights of marker particles and is applied to a five dimensional particle-in-cell code to calculate the neoclassical ion thermal conductivity in a tokamak plasma. Error verifications show practical aspects of the present scheme for both grid-based and particle-based kinetic codes.
An Interface Tracking Algorithm for the Porous Medium Equation.
1983-03-01
equation (1.11). N [v n n 2(2) = n . AV k + wk---IY" 2] +l~ x A t K Ax E E 2+ VeTA i;- 2k1 n- o (nr+l) <k-<.(n+l) N [Av] [ n+l <Ax Z m(v ) I~+lIAxAt...RD-R127 685 AN INTERFACE TRACKING ALGORITHM FOR THE POROUS MEDIUM / EQURTION(U) WISCONSIN UNIV-MRDISON MATHEMATICS RESEARCH CENTER E DIBENEDETTO ET...RL. MAR 83 NRC-TSR-249 UNCLASSIFIED DAG29-88-C-8041 F/G 12/1i N E -EEonshhhhI EhhhMhhhhhhhhE mhhhhhhhhhhhhE mhhhhhhhhhhhhI IMhhhhhhhMhhhE
Bezerra, Rui M F; Fraga, Irene; Dias, Albino A
2013-01-01
Enzyme kinetic parameters are usually determined from initial rates nevertheless, laboratory instruments only measure substrate or product concentration versus reaction time (progress curves). To overcome this problem we present a methodology which uses integrated models based on Michaelis-Menten equation. The most severe practical limitation of progress curve analysis occurs when the enzyme shows a loss of activity under the chosen assay conditions. To avoid this problem it is possible to work with the same experimental points utilized for initial rates determination. This methodology is illustrated by the use of integrated kinetic equations with the well-known reaction catalyzed by alkaline phosphatase enzyme. In this work nonlinear regression was performed with the Solver supplement (Microsoft Office Excel). It is easy to work with and track graphically the convergence of SSE (sum of square errors). The diagnosis of enzyme inhibition was performed according to Akaike information criterion. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.
Bagci, Hakan
2014-01-06
Time domain integral equation (TDIE) solvers represent an attractive alternative to finite difference (FDTD) and finite element (FEM) schemes for analyzing transient electromagnetic interactions on composite scatterers. Current induced on a scatterer, in response to a transient incident field, generates a scattered field. First, the scattered field is expressed as a spatio-temporal convolution of the current and the Green function of the background medium. Then, a TDIE is obtained by enforcing boundary conditions and/or fundamental field relations. TDIEs are often solved for the unknown current using marching on-in-time (MOT) schemes. MOT-TDIE solvers expand the current using local spatio-temporal basis functions. Inserting this expansion into the TDIE and testing the resulting equation in space and time yields a lower triangular system of equations (termed MOT system), which can be solved by marching in time for the coefficients of the current expansion. Stability of the MOT scheme often depends on how accurately the spatio-temporal convolution of the current and the Green function is discretized. In this work, band-limited prolate-based interpolation functions are used as temporal bases in expanding the current and discretizing the spatio-temporal convolution. Unfortunately, these functions are two sided, i.e., they require ”future” current samples for interpolation, resulting in a non-causal MOT system. To alleviate the effect of non-causality and restore the ability to march in time, an extrapolation scheme can be used to estimate the future values of the currents from their past values. Here, an accurate, stable and band-limited extrapolation scheme is developed for this purpose. This extrapolation scheme uses complex exponents, rather than commonly used harmonics, so that propagating and decaying mode fields inside the dielectric scatterers are accurately modeled. The resulting MOT scheme is applied to solving the time domain volume integral equation (VIE
Ergül, Özgür
2014-04-01
Graphics processing units (GPUs) are gradually becoming mainstream in high-performance computing, as their capabilities for enhancing performance of a large spectrum of scientific applications to many fold when compared to multi-core CPUs have been clearly identified and proven. In this paper, implementation and performance-tuning details for porting an explicit marching-on-in-time (MOT)-based time-domain volume-integral-equation (TDVIE) solver onto GPUs are described in detail. To this end, a high-level approach, utilizing the OpenACC directive-based parallel programming model, is used to minimize two often-faced challenges in GPU programming: developer productivity and code portability. The MOT-TDVIE solver code, originally developed for CPUs, is annotated with compiler directives to port it to GPUs in a fashion similar to how OpenMP targets multi-core CPUs. In contrast to CUDA and OpenCL, where significant modifications to CPU-based codes are required, this high-level approach therefore requires minimal changes to the codes. In this work, we make use of two available OpenACC compilers, CAPS and PGI. Our experience reveals that different annotations of the code are required for each of the compilers, due to different interpretations of the fairly new standard by the compiler developers. Both versions of the OpenACC accelerated code achieved significant performance improvements, with up to 30× speedup against the sequential CPU code using recent hardware technology. Moreover, we demonstrated that the GPU-accelerated fully explicit MOT-TDVIE solver leveraged energy-consumption gains of the order of 3× against its CPU counterpart. © 2014 IEEE.
International Nuclear Information System (INIS)
Sciannandrone, Daniele
2015-01-01
The topic of our research is the application of the Method of Long Characteristics (MOC) to solve the Neutron Transport Equation in three-dimensional axial geometries. The strength of the MOC is in its precision and versatility. As a drawback, it requires a large amount of computational resources. This problem is even more severe in three dimensional geometries, for which unknowns reach the order of tens of billions for assembly-level calculations. The first part of the research has dealt with the development of optimized tracking and reconstruction techniques which take advantage of the regularities of three-dimensional axial geometries. These methods have allowed a strong reduction of the memory requirements and a reduction of the execution time of the MOC calculation. The convergence of the iterative scheme has been accelerated with a lower order transport operator (DPN) which is used for the initialization of the solution and for solving the synthetic problem during MOC iterations. The algorithms for the construction and solution of the MOC and DPN operators have been accelerated by using shared-memory parallel paradigms which are more suitable for standard desktop working stations. An important part of this research has been devoted to the implementation of scheduling techniques to improve the parallel efficiency. The convergence of the angular quadrature formula for three-dimensional cases is also studied. Some of these formulas take advantage of the reduced computational costs of the treatment of planar directions and the vertical direction to speed up the algorithm. The verification of the MOC solver has been done by comparing results with continuous-in-energy Monte Carlo calculations. For this purpose a coupling of the 3D MOC solver with the Subgroup method is proposed to take into account the effects of cross sections resonances. The full calculation of a FBR assembly requires about 2 h of execution time with differences of few pcm with respect to the
Modeling adsorption of cationic surfactants at air/water interface without using the Gibbs equation.
Phan, Chi M; Le, Thu N; Nguyen, Cuong V; Yusa, Shin-ichi
2013-04-16
The Gibbs adsorption equation has been indispensable in predicting the surfactant adsorption at the interfaces, with many applications in industrial and natural processes. This study uses a new theoretical framework to model surfactant adsorption at the air/water interface without the Gibbs equation. The model was applied to two surfactants, C14TAB and C16TAB, to determine the maximum surface excesses. The obtained values demonstrated a fundamental change, which was verified by simulations, in the molecular arrangement at the interface. The new insights, in combination with recent discoveries in the field, expose the limitations of applying the Gibbs adsorption equation to cationic surfactants at the air/water interface.
Young, D. P.; Woo, A. C.; Bussoletti, J. E.; Johnson, F. T.
1986-01-01
A general method is developed combining fast direct methods and boundary integral equation methods to solve Poisson's equation on irregular exterior regions. The method requires O(N log N) operations where N is the number of grid points. Error estimates are given that hold for regions with corners and other boundary irregularities. Computational results are given in the context of computational aerodynamics for a two-dimensional lifting airfoil. Solutions of boundary integral equations for lifting and nonlifting aerodynamic configurations using preconditioned conjugate gradient are examined for varying degrees of thinness.
Al Jarro, Ahmed; Bagci, Hakan
2011-01-01
A hybrid MPI/OpenMP scheme for efficiently parallelizing the explicit marching-on-in-time (MOT)-based solution of the time-domain volume (Volterra) integral equation (TD-VIE) is presented. The proposed scheme equally distributes tested field values
Yang, Ting; Dong, Jianji; Lu, Liangjun; Zhou, Linjie; Zheng, Aoling; Zhang, Xinliang; Chen, Jianping
2014-07-04
Photonic integrated circuits for photonic computing open up the possibility for the realization of ultrahigh-speed and ultra wide-band signal processing with compact size and low power consumption. Differential equations model and govern fundamental physical phenomena and engineering systems in virtually any field of science and engineering, such as temperature diffusion processes, physical problems of motion subject to acceleration inputs and frictional forces, and the response of different resistor-capacitor circuits, etc. In this study, we experimentally demonstrate a feasible integrated scheme to solve first-order linear ordinary differential equation with constant-coefficient tunable based on a single silicon microring resonator. Besides, we analyze the impact of the chirp and pulse-width of input signals on the computing deviation. This device can be compatible with the electronic technology (typically complementary metal-oxide semiconductor technology), which may motivate the development of integrated photonic circuits for optical computing.
Anderson, D. V.; Koniges, A. E.; Shumaker, D. E.
1988-11-01
Many physical problems require the solution of coupled partial differential equations on two-dimensional domains. When the time scales of interest dictate an implicit discretization of the equations a rather complicated global matrix system needs solution. The exact form of the matrix depends on the choice of spatial grids and on the finite element or finite difference approximations employed. CPDES2 allows each spatial operator to have 5 or 9 point stencils and allows for general couplings between all of the component PDE's and it automatically generates the matrix structures needed to perform the algorithm. The resulting sparse matrix equation is solved by either the preconditioned conjugate gradient (CG) method or by the preconditioned biconjugate gradient (BCG) algorithm. An arbitrary number of component equations are permitted only limited by available memory. In the sub-band representation used, we generate an algorithm that is written compactly in terms of indirect indices which is vectorizable on some of the newer scientific computers.
Tsuruta, S; Misztal, I; Strandén, I
2001-05-01
Utility of the preconditioned conjugate gradient algorithm with a diagonal preconditioner for solving mixed-model equations in animal breeding applications was evaluated with 16 test problems. The problems included single- and multiple-trait analyses, with data on beef, dairy, and swine ranging from small examples to national data sets. Multiple-trait models considered low and high genetic correlations. Convergence was based on relative differences between left- and right-hand sides. The ordering of equations was fixed effects followed by random effects, with no special ordering within random effects. The preconditioned conjugate gradient program implemented with double precision converged for all models. However, when implemented in single precision, the preconditioned conjugate gradient algorithm did not converge for seven large models. The preconditioned conjugate gradient and successive overrelaxation algorithms were subsequently compared for 13 of the test problems. The preconditioned conjugate gradient algorithm was easy to implement with the iteration on data for general models. However, successive overrelaxation requires specific programming for each set of models. On average, the preconditioned conjugate gradient algorithm converged in three times fewer rounds of iteration than successive overrelaxation. With straightforward implementations, programs using the preconditioned conjugate gradient algorithm may be two or more times faster than those using successive overrelaxation. However, programs using the preconditioned conjugate gradient algorithm would use more memory than would comparable implementations using successive overrelaxation. Extensive optimization of either algorithm can influence rankings. The preconditioned conjugate gradient implemented with iteration on data, a diagonal preconditioner, and in double precision may be the algorithm of choice for solving mixed-model equations when sufficient memory is available and ease of implementation is
Al Jarro, Ahmed
2011-08-01
A hybrid MPI/OpenMP scheme for efficiently parallelizing the explicit marching-on-in-time (MOT)-based solution of the time-domain volume (Volterra) integral equation (TD-VIE) is presented. The proposed scheme equally distributes tested field values and operations pertinent to the computation of tested fields among the nodes using the MPI standard; while the source field values are stored in all nodes. Within each node, OpenMP standard is used to further accelerate the computation of the tested fields. Numerical results demonstrate that the proposed parallelization scheme scales well for problems involving three million or more spatial discretization elements. © 2011 IEEE.
Carrete, Jesús; Vermeersch, Bjorn; Katre, Ankita; van Roekeghem, Ambroise; Wang, Tao; Madsen, Georg K. H.; Mingo, Natalio
2017-11-01
almaBTE is a software package that solves the space- and time-dependent Boltzmann transport equation for phonons, using only ab-initio calculated quantities as inputs. The program can predictively tackle phonon transport in bulk crystals and alloys, thin films, superlattices, and multiscale structures with size features in the nm- μm range. Among many other quantities, the program can output thermal conductances and effective thermal conductivities, space-resolved average temperature profiles, and heat-current distributions resolved in frequency and space. Its first-principles character makes almaBTE especially well suited to investigate novel materials and structures. This article gives an overview of the program structure and presents illustrative examples for some of its uses. PROGRAM SUMMARY Program Title:almaBTE Program Files doi:http://dx.doi.org/10.17632/8tfzwgtp73.1 Licensing provisions: Apache License, version 2.0 Programming language: C++ External routines/libraries: BOOST, MPI, Eigen, HDF5, spglib Nature of problem: Calculation of temperature profiles, thermal flux distributions and effective thermal conductivities in structured systems where heat is carried by phonons Solution method: Solution of linearized phonon Boltzmann transport equation, Variance-reduced Monte Carlo
Na, D.-Y.; Moon, H.; Omelchenko, Y. A.; Teixeira, F. L.
2018-01-01
Accurate modeling of relativistic particle motion is essential for physical predictions in many problems involving vacuum electronic devices, particle accelerators, and relativistic plasmas. A local, explicit, and charge-conserving finite-element time-domain (FETD) particle-in-cell (PIC) algorithm for time-dependent (non-relativistic) Maxwell-Vlasov equations on irregular (unstructured) meshes was recently developed by Moon et al. [Comput. Phys. Commun. 194, 43 (2015); IEEE Trans. Plasma Sci. 44, 1353 (2016)]. Here, we extend this FETD-PIC algorithm to the relativistic regime by implementing and comparing three relativistic particle-pushers: (relativistic) Boris, Vay, and Higuera-Cary. We illustrate the application of the proposed relativistic FETD-PIC algorithm for the analysis of particle cyclotron motion at relativistic speeds, harmonic particle oscillation in the Lorentz-boosted frame, and relativistic Bernstein modes in magnetized charge-neutral (pair) plasmas.
Directory of Open Access Journals (Sweden)
Donald A. McLaren
2013-04-01
Full Text Available This paper describes and tests a wavelet-based implicit numerical method for solving partial differential equations. Intended for problems with localized small-scale interactions, the method exploits the form of the wavelet decomposition to divide the implicit system created by the time-discretization into multiple smaller systems that can be solved sequentially. Included is a test on a basic non-linear problem, with both the results of the test, and the time required to calculate them, compared with control results based on a single system with fine resolution. The method is then tested on a non-trivial problem, its computational time and accuracy checked against control results. In both tests, it was found that the method requires less computational expense than the control. Furthermore, the method showed convergence towards the fine resolution control results.
Anderson, D. V.; Koniges, A. E.; Shumaker, D. E.
1988-11-01
Many physical problems require the solution of coupled partial differential equations on three-dimensional domains. When the time scales of interest dictate an implicit discretization of the equations a rather complicated global matrix system needs solution. The exact form of the matrix depends on the choice of spatial grids and on the finite element or finite difference approximations employed. CPDES3 allows each spatial operator to have 7, 15, 19, or 27 point stencils and allows for general couplings between all of the component PDE's and it automatically generates the matrix structures needed to perform the algorithm. The resulting sparse matrix equation is solved by either the preconditioned conjugate gradient (CG) method or by the preconditioned biconjugate gradient (BCG) algorithm. An arbitrary number of component equations are permitted only limited by available memory. In the sub-band representation used, we generate an algorithm that is written compactly in terms of indirect induces which is vectorizable on some of the newer scientific computers.
Liu, Yang
2018-02-26
A wavelet-enhanced plane-wave time-domain (PWTD) algorithm for efficiently and accurately solving time-domain surface integral equations (TD-SIEs) on electrically large conducting objects is presented. The proposed scheme reduces the memory requirement and computational cost of the PWTD algorithm by representing the PWTD ray data using local cosine wavelet bases (LCBs) and performing PWTD operations in the wavelet domain. The memory requirement and computational cost of the LCB-enhanced PWTD-accelerated TD-SIE solver, when applied to the analysis of transient scattering from smooth quasi-planar objects with near-normal incident pulses, scale nearly as O(Ns log Ns) and O(Ns 1.5 ), respectively. Here, Ns denotes the number of spatial unknowns. The efficiency and accuracy of the proposed scheme are demonstrated through its applications to the analysis of transient scattering from a 185 wave-length-long NASA almond and a 123-wavelength long Air-bus-A320 model.
Yücel, Abdulkadir C.
2013-07-01
Reliable and effective wireless communication and tracking systems in mine environments are key to ensure miners\\' productivity and safety during routine operations and catastrophic events. The design of such systems greatly benefits from simulation tools capable of analyzing electromagnetic (EM) wave propagation in long mine tunnels and large mine galleries. Existing simulation tools for analyzing EM wave propagation in such environments employ modal decompositions (Emslie et. al., IEEE Trans. Antennas Propag., 23, 192-205, 1975), ray-tracing techniques (Zhang, IEEE Tran. Vehic. Tech., 5, 1308-1314, 2003), and full wave methods. Modal approaches and ray-tracing techniques cannot accurately account for the presence of miners and their equipments, as well as wall roughness (especially when the latter is comparable to the wavelength). Full-wave methods do not suffer from such restrictions but require prohibitively large computational resources. To partially alleviate this computational burden, a 2D integral equation-based domain decomposition technique has recently been proposed (Bakir et. al., in Proc. IEEE Int. Symp. APS, 1-2, 8-14 July 2012). © 2013 IEEE.
Modern solvers for Helmholtz problems
Tang, Jok; Vuik, Kees
2017-01-01
This edited volume offers a state of the art overview of fast and robust solvers for the Helmholtz equation. The book consists of three parts: new developments and analysis in Helmholtz solvers, practical methods and implementations of Helmholtz solvers, and industrial applications. The Helmholtz equation appears in a wide range of science and engineering disciplines in which wave propagation is modeled. Examples are: seismic inversion, ultrasone medical imaging, sonar detection of submarines, waves in harbours and many more. The partial differential equation looks simple but is hard to solve. In order to approximate the solution of the problem numerical methods are needed. First a discretization is done. Various methods can be used: (high order) Finite Difference Method, Finite Element Method, Discontinuous Galerkin Method and Boundary Element Method. The resulting linear system is large, where the size of the problem increases with increasing frequency. Due to higher frequencies the seismic images need to b...
Wang, XiaoLiang; Li, JiaChun
2017-12-01
A new solver based on the high-resolution scheme with novel treatments of source terms and interface capture for the Savage-Hutter model is developed to simulate granular avalanche flows. The capability to simulate flow spread and deposit processes is verified through indoor experiments of a two-dimensional granular avalanche. Parameter studies show that reduction in bed friction enhances runout efficiency, and that lower earth pressure restraints enlarge the deposit spread. The April 9, 2000, Yigong avalanche in Tibet, China, is simulated as a case study by this new solver. The predicted results, including evolution process, deposit spread, and hazard impacts, generally agree with site observations. It is concluded that the new solver for the Savage-Hutter equation provides a comprehensive software platform for granular avalanche simulation at both experimental and field scales. In particular, the solver can be a valuable tool for providing necessary information for hazard forecasts, disaster mitigation, and countermeasure decisions in mountainous areas.
Ergü l, Ö zgü r; Feki, Saber; Al-Jarro, Ahmed; Clo, Alain M.; Bagci, Hakan
2014-01-01
-level approach, utilizing the OpenACC directive-based parallel programming model, is used to minimize two often-faced challenges in GPU programming: developer productivity and code portability. The MOT-TDVIE solver code, originally developed for CPUs
Chavez Chavez, Gustavo Ivan
2017-01-01
Numerical experiments corroborate the robustness, accuracy, and complexity claims and provide a baseline of the performance and memory footprint by comparisons with competing approaches such as the multigrid solver hypre, and the STRUMPACK implementation of the multifrontal factorization with hierarchically semi-separable matrices. The companion implementation can utilize many thousands of cores of Shaheen, KAUST's Haswell-based Cray XC-40 supercomputer, and compares favorably with other implementations of hierarchical solvers in terms of time-to-solution and memory consumption.
Variational derivation of the simplified P2 equations with boundary and interface conditions
International Nuclear Information System (INIS)
Tomasevic, D.I.; Larsen, E.W.
1995-01-01
The Simplified P 2 (SP 2 ) approximation to the transport equation is derived using a variational principle. The variational analysis yields the SP 2 equations, together with interface and Marshak-like boundary conditions. Numerical calculations show that for problems in which the P 1 solution is a reasonably accurate approximation to the transport solution, the corresponding SP 2 Solution is generally more accurate than the P 1 solution, for calculating integral quantities and detailed flux distributions, except in the close vicinity of material interfaces, where the SP 2 solution is discontinuous
Test set for initial value problem solvers
W.M. Lioen (Walter); J.J.B. de Swart (Jacques)
1998-01-01
textabstractThe CWI test set for IVP solvers presents a collection of Initial Value Problems to test solvers for implicit differential equations. This test set can both decrease the effort for the code developer to test his software in a reliable way, and cross the bridge between the application
Nearly Interactive Parabolized Navier-Stokes Solver for High Speed Forebody and Inlet Flows
Benson, Thomas J.; Liou, May-Fun; Jones, William H.; Trefny, Charles J.
2009-01-01
A system of computer programs is being developed for the preliminary design of high speed inlets and forebodies. The system comprises four functions: geometry definition, flow grid generation, flow solver, and graphics post-processor. The system runs on a dedicated personal computer using the Windows operating system and is controlled by graphical user interfaces written in MATLAB (The Mathworks, Inc.). The flow solver uses the Parabolized Navier-Stokes equations to compute millions of mesh points in several minutes. Sample two-dimensional and three-dimensional calculations are demonstrated in the paper.
Approximate Riemann solver for the two-fluid plasma model
International Nuclear Information System (INIS)
Shumlak, U.; Loverich, J.
2003-01-01
An algorithm is presented for the simulation of plasma dynamics using the two-fluid plasma model. The two-fluid plasma model is more general than the magnetohydrodynamic (MHD) model often used for plasma dynamic simulations. The two-fluid equations are derived in divergence form and an approximate Riemann solver is developed to compute the fluxes of the electron and ion fluids at the computational cell interfaces and an upwind characteristic-based solver to compute the electromagnetic fields. The source terms that couple the fluids and fields are treated implicitly to relax the stiffness. The algorithm is validated with the coplanar Riemann problem, Langmuir plasma oscillations, and the electromagnetic shock problem that has been simulated with the MHD plasma model. A numerical dispersion relation is also presented that demonstrates agreement with analytical plasma waves
Energy Technology Data Exchange (ETDEWEB)
Bordner, J.; Saied, F. [Univ. of Illinois, Urbana, IL (United States)
1996-12-31
GLab3D is an enhancement of an interactive environment (MGLab) for experimenting with iterative solvers and multigrid algorithms. It is implemented in MATLAB. The new version has built-in 3D elliptic pde`s and several iterative methods and preconditioners that were not available in the original version. A sparse direct solver option has also been included. The multigrid solvers have also been extended to 3D. The discretization and pde domains are restricted to standard finite differences on the unit square/cube. The power of this software studies in the fact that no programming is needed to solve, for example, the convection-diffusion equation in 3D with TFQMR and a customized V-cycle preconditioner, for a variety of problem sizes and mesh Reynolds, numbers. In addition to the graphical user interface, some sample drivers are included to show how experiments can be composed using the underlying suite of problems and solvers.
Solution of the mathematical adjoint equations for an interface current nodal formulation
International Nuclear Information System (INIS)
Yang, W.S.; Taiwo, T.A.; Khalil, H.
1994-01-01
Two techniques for solving the mathematical adjoint equations of an interface current nodal method are described. These techniques are the ''similarity transformation'' procedure and a direct solution scheme. A theoretical basis is provided for the similarity transformation procedure originally proposed by Lawrence. It is shown that the matrices associated with the mathematical and physical adjoint equations are similar to each other for the flat transverse leakage approximation but not for the quadratic leakage approximation. It is also shown that a good approximate solution of the mathematical adjoint for the quadratic transverse leakage approximation is obtained by applying the similarity transformation for the flat transverse leakage approximation to the physical adjoint solution. The direct solution scheme, which was developed as an alternative to the similarity transformation procedure, yields the correct mathematical adjoint solution for both flat and quadratic transverse leakage approximations. In this scheme, adjoint nodal equations are cast in a form very similar to that of the forward equations by employing a linear transformation of the adjoint partial currents. This enables the use of the forward solution algorithm with only minor modifications for solving the mathematical adjoint equations. By using the direct solution scheme as a reference method, it is shown that while the results computed with the similarity transformation procedure are approximate, they are sufficiently accurate for calculations of global and local reactivity changes resulting from coolant voiding in a liquid-metal reactor
Yücel, Abdulkadir C.
2014-07-01
Reliable wireless communication and tracking systems in underground mines are of paramount importance to increase miners\\' productivity while monitoring the environmental conditions and increasing the effectiveness of rescue operations. Key to the design and optimization of such systems are electromagnetic (EM) simulation tools capable of analyzing wave propagation in electromagnetically large mine tunnels and galleries loaded with conducting cables (power, telephone) and mining equipment (trolleys, rails, carts), and potentially partially obstructed by debris from a cave-in. Current tools for simulating EM propagation in mine environments leverage (multi-) modal decompositions (Emslie et. al., IEEE Trans. Antennas Propag., 23, 192-205, 1975; Sun and Akyildiz, IEEE Trans. Commun., 58, 1758-1768, 2010), ray-tracing techniques (Zhang, IEEE Tran. Vehic. Tech., 5, 1308-1314, 2003), or full wave methods. Modal approaches and ray-tracing techniques cannot accurately account for the presence of conductors, intricate details of transmitters/receivers, wall roughness, or unstructured debris from a cave-in. Classical full-wave methods do not suffer from such restrictions. However, they require prohibitively large computational resources when applied to the analysis of electromagnetically large tunnels loaded with conductors. Recently, an efficient hybrid method of moment and transmission line solver has been developed to analyze the EM wave propagation inside tunnels loaded with conductors (Brocker et. al., in Proc IEEE AP-S Symp, pp.1,2, 2012). However, the applicability of the solver is limited to the characterization of EM wave propagation at medium frequency band.
Rane, Jayant P; Pauchard, Vincent; Couzis, Alexander; Banerjee, Sanjoy
2013-04-16
In an earlier study, oil-water interfacial tension was measured by the pendant drop technique for a range of oil-phase asphaltene concentrations and viscosities. The interfacial tension was found to be related to the relative surface coverage during droplet expansion. The relationship was independent of aging time and bulk asphaltenes concentration, suggesting that cross-linking did not occur at the interface and that only asphaltene monomers were adsorbed. The present study extends this work to measurements of interfacial rheology with the same fluids. Dilatation moduli have been measured using the pulsating droplet technique at different frequencies, different concentrations (below and above CNAC), and different aging times. Care was taken to apply the technique in conditions where viscous and inertial effects are small. The elastic modulus increases with frequency and then plateaus to an asymptotic value. The asymptotic or instantaneous elasticity has been plotted against the interfacial tension, indicating the existence of a unique relationship, between them, independent of adsorption conditions. The relationship between interfacial tension and surface coverage is analyzed with a Langmuir equation of state. The equation of state also enabled the prediction of the observed relationship between the instantaneous elasticity and interfacial tension. The fit by a simple Langmuir equation of state (EOS) suggests minimal effects of aging and of nanoaggregates or gel formation at the interface. Only one parameter is involved in the fit, which is the surface excess coverage Γ∞ = 3.2 molecules/nm(2) (31.25 Å(2)/molecule). This value appears to agree with flat-on adsorption of monomeric asphaltene structures consisting of aromatic cores composed of an average of six fused rings and supports the hypothesis that nanoaggregates do not adsorb on the interface. The observed interfacial effects of the adsorbed asphaltenes, correlated by the Langmuir EOS, are consistent with
Neutron wave reflexions in interface media with transport equation P1 approximation
International Nuclear Information System (INIS)
Oliveira Vellozo, S. de.
1977-01-01
The propagation of neutron waves in non multiplying media is investigated employing the Telegrapher's equation obtained from the P 1 approximation of the time, space and energy dependent Boltzmann equation. Solution of the problem of propagation of sinusoidally modulated source incident on one face of the medium is obtained by analysing the Fourier component of a pulsed source introduced, for the corresponding frequency. The amplitude and the phase of the flux are computed as a function of frequency in media consisting of one, two and three regions in order to study the effects of reflection at the interfaces. The results are compared with those from the Diffusion approximation obtained by neglecting the term involving the second order time derivative. (author)
High-order FDTD methods via derivative matching for Maxwell's equations with material interfaces
International Nuclear Information System (INIS)
Zhao Shan; Wei, G.W.
2004-01-01
This paper introduces a series of novel hierarchical implicit derivative matching methods to restore the accuracy of high-order finite-difference time-domain (FDTD) schemes of computational electromagnetics (CEM) with material interfaces in one (1D) and two spatial dimensions (2D). By making use of fictitious points, systematic approaches are proposed to locally enforce the physical jump conditions at material interfaces in a preprocessing stage, to arbitrarily high orders of accuracy in principle. While often limited by numerical instability, orders up to 16 and 12 are achieved, respectively, in 1D and 2D. Detailed stability analyses are presented for the present approach to examine the upper limit in constructing embedded FDTD methods. As natural generalizations of the high-order FDTD schemes, the proposed derivative matching methods automatically reduce to the standard FDTD schemes when the material interfaces are absent. An interesting feature of the present approach is that it encompasses a variety of schemes of different orders in a single code. Another feature of the present approach is that it can be robustly implemented with other high accuracy time-domain approaches, such as the multiresolution time-domain method and the local spectral time-domain method, to cope with material interfaces. Numerical experiments on both 1D and 2D problems are carried out to test the convergence, examine the stability, access the efficiency, and explore the limitation of the proposed methods. It is found that operating at their best capacity, the proposed high-order schemes could be over 2000 times more efficient than their fourth-order versions in 2D. In conclusion, the present work indicates that the proposed hierarchical derivative matching methods might lead to practical high-order schemes for numerical solution of time-domain Maxwell's equations with material interfaces
Energy Technology Data Exchange (ETDEWEB)
Fochesato, Ch. [CEA Bruyeres-le-Chatel, Dept. de Conception et Simulation des Armes, Service Simulation des Amorces, Lab. Logiciels de Simulation, 91 (France); Bouche, D. [CEA Bruyeres-le-Chatel, Dept. de Physique Theorique et Appliquee, Lab. de Recherche Conventionne, Centre de Mathematiques et Leurs Applications, 91 (France)
2007-07-01
The numerical solution of Maxwell equations is a challenging task. Moreover, the range of applications is very wide: microwave devices, diffraction, to cite a few. As a result, a number of methods have been proposed since the sixties. However, among all these methods, none has proved to be free of drawbacks. The finite difference scheme proposed by Yee in 1966, is well suited for Maxwell equations. However, it only works on cubical mesh. As a result, the boundaries of complex objects are not properly handled by the scheme. When classical nodal finite elements are used, spurious modes appear, which spoil the results of simulations. Edge elements overcome this problem, at the price of rather complex implementation, and computationally intensive simulations. Finite volume methods, either generalizing Yee scheme to a wider class of meshes, or applying to Maxwell equations methods initially used in the field of hyperbolic systems of conservation laws, are also used. Lastly, 'Discontinuous Galerkin' methods, generalizing to arbitrary order of accuracy finite volume methods, have recently been applied to Maxwell equations. In this report, we more specifically focus on the coupling of a Maxwell solver to a PIC (Particle-in-cell) method. We analyze advantages and drawbacks of the most widely used methods: accuracy, robustness, sensitivity to numerical artefacts, efficiency, user judgment. (authors)
A matrix formalism to solve interface condition equations in a reactor system
Energy Technology Data Exchange (ETDEWEB)
Matausek, M V [Boris Kidric Institute of Nuclear Sciences Vinca, Beograd (Yugoslavia)
1970-05-15
When a nuclear reactor or a reactor lattice cell is treated by an approximate procedure to solve the neutron transport equation, as the last computational step often appears a problem of solving systems of algebraic equations stating the interface and boundary conditions for the neutron flux moments. These systems have usually the coefficient matrices of the block-bi diagonal type, containing thus a large number of zero elements. In the present report it is shown how such a system can be solved efficiently accounting for all the zero elements both in the coefficient matrix and in the free term vector. The procedure is presented here for the case of multigroup P{sub 3} calculation of neutron flux distribution in a cylindrical reactor lattice cell. Compared with the standard gaussian elimination method, this procedure is more advantageous both in respect to the number of operations needed to solve a given problem and in respect to the computer memory storage requirements. A similar formalism can also be applied for other approximate methods, for instance for multigroup diffusion treatment of a multi zone reactor. (author)
On a construction of fast direct solvers
Czech Academy of Sciences Publication Activity Database
Práger, Milan
2003-01-01
Roč. 48, č. 3 (2003), s. 225-236 ISSN 0862-7940 Institutional research plan: CEZ:AV0Z1019905; CEZ:AV0Z1019905 Keywords : Poisson equation * boundary value problem * fast direct solver Subject RIV: BA - General Mathematics
Czech Academy of Sciences Publication Activity Database
Bauer, Petr; Klement, V.; Oberhuber, T.; Žabka, V.
2016-01-01
Roč. 200, March (2016), s. 50-56 ISSN 0010-4655 R&D Projects: GA ČR GB14-36566G Institutional support: RVO:61388998 Keywords : Navier–Stokes equations * mixed finite elements * multigrid * Vanka-type smoothers * Gauss–Seidel * red–black coloring * parallelization * GPU Subject RIV: BK - Fluid Dynamics Impact factor: 3.936, year: 2016
International Nuclear Information System (INIS)
Peysson, Y.
1997-09-01
A full implicit numerical procedure based on the use of a nine-point difference operator is presented to solve the two dimensional (2 D ) relativistic Fokker-Planck equation for the current drive problem and synergetic effects between the lower hybrid and the electron cyclotron waves in tokamaks. As compared to the standard approach based on the use of a five-point difference operator [M. Shoucri, I. Shkarofsky, Comput. Phys. Comm. 82 (1994) 287], the convergence rate towards the steady state solution may be significantly enhanced with no loss of accuracy on the distribution function. Moreover, it is shown that the numerical stability may be strongly improved without a large degradation of the CPU time consumption as in the five-point scheme, making this approach very attractive for a fast solution of the 2-D Fokker-Planck equation on a fine grid in conjunction with other numerical codes for realistic plasma simulations. This new algorithm, based on an approximate matrix factorization technique, may be applied to all numerical problems with large sets of equations which involve nine-point difference operators. (author)
Energy Technology Data Exchange (ETDEWEB)
Peysson, Y. [Association Euratom-CEA, CEA Grenoble, 38 (France). Dept. de Recherches sur la Fusion Controlee; Choucri, M. [Centre Canadien de Fusion Magnetique, Varennes, PQ (Canada)
1997-09-01
A full implicit numerical procedure based on the use of a nine-point difference operator is presented to solve the two dimensional (2{sub D}) relativistic Fokker-Planck equation for the current drive problem and synergetic effects between the lower hybrid and the electron cyclotron waves in tokamaks. As compared to the standard approach based on the use of a five-point difference operator [M. Shoucri, I. Shkarofsky, Comput. Phys. Comm. 82 (1994) 287], the convergence rate towards the steady state solution may be significantly enhanced with no loss of accuracy on the distribution function. Moreover, it is shown that the numerical stability may be strongly improved without a large degradation of the CPU time consumption as in the five-point scheme, making this approach very attractive for a fast solution of the 2-D Fokker-Planck equation on a fine grid in conjunction with other numerical codes for realistic plasma simulations. This new algorithm, based on an approximate matrix factorization technique, may be applied to all numerical problems with large sets of equations which involve nine-point difference operators. (author) 21 refs.
Two-Phase Fluid Simulation Using a Diffuse Interface Model with Peng--Robinson Equation of State
Qiao, Zhonghua; Sun, Shuyu
2014-01-01
In this paper, two-phase fluid systems are simulated using a diffusive interface model with the Peng-Robinson equation of state (EOS), a widely used realistic EOS for hydrocarbon fluid in the petroleum industry. We first utilize the gradient theory
International Nuclear Information System (INIS)
Turinsky, P.J.; Al-Chalabi, R.M.K.; Engrand, P.; Sarsour, H.N.; Faure, F.X.; Guo, W.
1994-06-01
NESTLE is a FORTRAN77 code that solves the few-group neutron diffusion equation utilizing the Nodal Expansion Method (NEM). NESTLE can solve the eigenvalue (criticality); eigenvalue adjoint; external fixed-source steady-state; or external fixed-source. or eigenvalue initiated transient problems. The code name NESTLE originates from the multi-problem solution capability, abbreviating Nodal Eigenvalue, Steady-state, Transient, Le core Evaluator. The eigenvalue problem allows criticality searches to be completed, and the external fixed-source steady-state problem can search to achieve a specified power level. Transient problems model delayed neutrons via precursor groups. Several core properties can be input as time dependent. Two or four energy groups can be utilized, with all energy groups being thermal groups (i.e. upscatter exits) if desired. Core geometries modelled include Cartesian and Hexagonal. Three, two and one dimensional models can be utilized with various symmetries. The non-linear iterative strategy associated with the NEM method is employed. An advantage of the non-linear iterative strategy is that NSTLE can be utilized to solve either the nodal or Finite Difference Method representation of the few-group neutron diffusion equation
New iterative solvers for the NAG Libraries
Energy Technology Data Exchange (ETDEWEB)
Salvini, S.; Shaw, G. [Numerical Algorithms Group Ltd., Oxford (United Kingdom)
1996-12-31
The purpose of this paper is to introduce the work which has been carried out at NAG Ltd to update the iterative solvers for sparse systems of linear equations, both symmetric and unsymmetric, in the NAG Fortran 77 Library. Our current plans to extend this work and include it in our other numerical libraries in our range are also briefly mentioned. We have added to the Library the new Chapter F11, entirely dedicated to sparse linear algebra. At Mark 17, the F11 Chapter includes sparse iterative solvers, preconditioners, utilities and black-box routines for sparse symmetric (both positive-definite and indefinite) linear systems. Mark 18 will add solvers, preconditioners, utilities and black-boxes for sparse unsymmetric systems: the development of these has already been completed.
Domain decomposed preconditioners with Krylov subspace methods as subdomain solvers
Energy Technology Data Exchange (ETDEWEB)
Pernice, M. [Univ. of Utah, Salt Lake City, UT (United States)
1994-12-31
Domain decomposed preconditioners for nonsymmetric partial differential equations typically require the solution of problems on the subdomains. Most implementations employ exact solvers to obtain these solutions. Consequently work and storage requirements for the subdomain problems grow rapidly with the size of the subdomain problems. Subdomain solves constitute the single largest computational cost of a domain decomposed preconditioner, and improving the efficiency of this phase of the computation will have a significant impact on the performance of the overall method. The small local memory available on the nodes of most message-passing multicomputers motivates consideration of the use of an iterative method for solving subdomain problems. For large-scale systems of equations that are derived from three-dimensional problems, memory considerations alone may dictate the need for using iterative methods for the subdomain problems. In addition to reduced storage requirements, use of an iterative solver on the subdomains allows flexibility in specifying the accuracy of the subdomain solutions. Substantial savings in solution time is possible if the quality of the domain decomposed preconditioner is not degraded too much by relaxing the accuracy of the subdomain solutions. While some work in this direction has been conducted for symmetric problems, similar studies for nonsymmetric problems appear not to have been pursued. This work represents a first step in this direction, and explores the effectiveness of performing subdomain solves using several transpose-free Krylov subspace methods, GMRES, transpose-free QMR, CGS, and a smoothed version of CGS. Depending on the difficulty of the subdomain problem and the convergence tolerance used, a reduction in solution time is possible in addition to the reduced memory requirements. The domain decomposed preconditioner is a Schur complement method in which the interface operators are approximated using interface probing.
Dorda, Antonius; Schürrer, Ferdinand
2015-03-01
We present a novel numerical scheme for the deterministic solution of the Wigner transport equation, especially suited to deal with situations in which strong quantum effects are present. The unique feature of the algorithm is the expansion of the Wigner function in local basis functions, similar to finite element or finite volume methods. This procedure yields a discretization of the pseudo-differential operator that conserves the particle density on arbitrarily chosen grids. The high flexibility in refining the grid spacing together with the weighted essentially non-oscillatory (WENO) scheme for the advection term allows for an accurate and well-resolved simulation of the phase space dynamics. A resonant tunneling diode is considered as test case and a detailed convergence study is given by comparing the results to a non-equilibrium Green's functions calculation. The impact of the considered domain size and of the grid spacing is analyzed. The obtained convergence of the results towards a quasi-exact agreement of the steady state Wigner and Green's functions computations demonstrates the accuracy of the scheme, as well as the high flexibility to adjust to different physical situations.
Two-dimensional time dependent Riemann solvers for neutron transport
International Nuclear Information System (INIS)
Brunner, Thomas A.; Holloway, James Paul
2005-01-01
A two-dimensional Riemann solver is developed for the spherical harmonics approximation to the time dependent neutron transport equation. The eigenstructure of the resulting equations is explored, giving insight into both the spherical harmonics approximation and the Riemann solver. The classic Roe-type Riemann solver used here was developed for one-dimensional problems, but can be used in multidimensional problems by treating each face of a two-dimensional computation cell in a locally one-dimensional way. Several test problems are used to explore the capabilities of both the Riemann solver and the spherical harmonics approximation. The numerical solution for a simple line source problem is compared to the analytic solution to both the P 1 equation and the full transport solution. A lattice problem is used to test the method on a more challenging problem
Kryven, I.; Röblitz, S; Schütte, C.
2015-01-01
Background: The chemical master equation is the fundamental equation of stochastic chemical kinetics. This differential-difference equation describes temporal evolution of the probability density function for states of a chemical system. A state of the system, usually encoded as a vector, represents
Brouwer-Janse, M.D.
1991-01-01
Most formal problem-solving studies use verbal protocol and observational data of problem solvers working on a task. In user-centred product-design projects, observational studies of users are frequently used too. In the latter case, however, systematic control of conditions, indepth analysis and
Asynchronous Parallelization of a CFD Solver
Abdi, Daniel S.; Bitsuamlak, Girma T.
2015-01-01
The article of record as published may be found at http://dx.doi.org/10.1155/2015/295393 A Navier-Stokes equations solver is parallelized to run on a cluster of computers using the domain decomposition method. Two approaches of communication and computation are investigated, namely, synchronous and asynchronous methods. Asynchronous communication between subdomains is not commonly used inCFDcodes; however, it has a potential to alleviate scaling bottlenecks incurred due to process...
Chemical Mechanism Solvers in Air Quality Models
Directory of Open Access Journals (Sweden)
John C. Linford
2011-09-01
Full Text Available The solution of chemical kinetics is one of the most computationally intensivetasks in atmospheric chemical transport simulations. Due to the stiff nature of the system,implicit time stepping algorithms which repeatedly solve linear systems of equations arenecessary. This paper reviews the issues and challenges associated with the construction ofefficient chemical solvers, discusses several families of algorithms, presents strategies forincreasing computational efficiency, and gives insight into implementing chemical solverson accelerated computer architectures.
High performance simplex solver
Huangfu, Qi
2013-01-01
The dual simplex method is frequently the most efficient technique for solving linear programming (LP) problems. This thesis describes an efficient implementation of the sequential dual simplex method and the design and development of two parallel dual simplex solvers. In serial, many advanced techniques for the (dual) simplex method are implemented, including sparse LU factorization, hyper-sparse linear system solution technique, efficient approaches to updating LU factors and...
Electric circuits problem solver
REA, Editors of
2012-01-01
Each Problem Solver is an insightful and essential study and solution guide chock-full of clear, concise problem-solving gems. All your questions can be found in one convenient source from one of the most trusted names in reference solution guides. More useful, more practical, and more informative, these study aids are the best review books and textbook companions available. Nothing remotely as comprehensive or as helpful exists in their subject anywhere. Perfect for undergraduate and graduate studies.Here in this highly useful reference is the finest overview of electric circuits currently av
Advanced calculus problem solver
REA, Editors of
2012-01-01
Each Problem Solver is an insightful and essential study and solution guide chock-full of clear, concise problem-solving gems. All your questions can be found in one convenient source from one of the most trusted names in reference solution guides. More useful, more practical, and more informative, these study aids are the best review books and textbook companions available. Nothing remotely as comprehensive or as helpful exists in their subject anywhere. Perfect for undergraduate and graduate studies.Here in this highly useful reference is the finest overview of advanced calculus currently av
Parallel linear solvers for simulations of reactor thermal hydraulics
International Nuclear Information System (INIS)
Yan, Y.; Antal, S.P.; Edge, B.; Keyes, D.E.; Shaver, D.; Bolotnov, I.A.; Podowski, M.Z.
2011-01-01
The state-of-the-art multiphase fluid dynamics code, NPHASE-CMFD, performs multiphase flow simulations in complex domains using implicit nonlinear treatment of the governing equations and in parallel, which is a very challenging environment for the linear solver. The present work illustrates how the Portable, Extensible Toolkit for Scientific Computation (PETSc) and scalable Algebraic Multigrid (AMG) preconditioner from Hypre can be utilized to construct robust and scalable linear solvers for the Newton correction equation obtained from the discretized system of governing conservation equations in NPHASE-CMFD. The overall long-tem objective of this work is to extend the NPHASE-CMFD code into a fully-scalable solver of multiphase flow and heat transfer problems, applicable to both steady-state and stiff time-dependent phenomena in complete fuel assemblies of nuclear reactors and, eventually, the entire reactor core (such as the Virtual Reactor concept envisioned by CASL). This campaign appropriately begins with the linear algebraic equation solver, which is traditionally a bottleneck to scalability in PDE-based codes. The computational complexity of the solver is usually superlinear in problem size, whereas the rest of the code, the “physics” portion, usually has its complexity linear in the problem size. (author)
Hrubý Jan; Duška Michal
2014-01-01
We present a system of analytical equations for computation of all thermodynamic properties of dry steam and liquid water (undesaturated, saturated and metastable supersaturated) and properties of the liquid-vapor phase interface. The form of the equations is such that it enables computation of all thermodynamic properties for independent variables directly related to the balanced quantities - total mass, liquid mass, energy, momenta. This makes it suitable for the solvers of fluid dynamics e...
International Nuclear Information System (INIS)
Anton, Luis; MartI, Jose M; Ibanez, Jose M; Aloy, Miguel A.; Mimica, Petar; Miralles, Juan A.
2010-01-01
We obtain renormalized sets of right and left eigenvectors of the flux vector Jacobians of the relativistic MHD equations, which are regular and span a complete basis in any physical state including degenerate ones. The renormalization procedure relies on the characterization of the degeneracy types in terms of the normal and tangential components of the magnetic field to the wave front in the fluid rest frame. Proper expressions of the renormalized eigenvectors in conserved variables are obtained through the corresponding matrix transformations. Our work completes previous analysis that present different sets of right eigenvectors for non-degenerate and degenerate states, and can be seen as a relativistic generalization of earlier work performed in classical MHD. Based on the full wave decomposition (FWD) provided by the renormalized set of eigenvectors in conserved variables, we have also developed a linearized (Roe-type) Riemann solver. Extensive testing against one- and two-dimensional standard numerical problems allows us to conclude that our solver is very robust. When compared with a family of simpler solvers that avoid the knowledge of the full characteristic structure of the equations in the computation of the numerical fluxes, our solver turns out to be less diffusive than HLL and HLLC, and comparable in accuracy to the HLLD solver. The amount of operations needed by the FWD solver makes it less efficient computationally than those of the HLL family in one-dimensional problems. However, its relative efficiency increases in multidimensional simulations.
Peng, Qiujin; Qiao, Zhonghua; Sun, Shuyu
2017-01-01
In this paper, we present two second-order numerical schemes to solve the fourth order parabolic equation derived from a diffuse interface model with Peng-Robinson Equation of state (EOS) for pure substance. The mass conservation, energy decay property, unique solvability and L-infinity convergence of these two schemes are proved. Numerical results demonstrate the good approximation of the fourth order equation and confirm reliability of these two schemes.
Peng, Qiujin
2017-09-18
In this paper, we present two second-order numerical schemes to solve the fourth order parabolic equation derived from a diffuse interface model with Peng-Robinson Equation of state (EOS) for pure substance. The mass conservation, energy decay property, unique solvability and L-infinity convergence of these two schemes are proved. Numerical results demonstrate the good approximation of the fourth order equation and confirm reliability of these two schemes.
Gaik Tay, Kim; Cheong, Tau Han; Foong Lee, Ming; Kek, Sie Long; Abdul-Kahar, Rosmila
2017-08-01
In the previous work on Euler’s spreadsheet calculator for solving an ordinary differential equation, the Visual Basic for Application (VBA) programming was used, however, a graphical user interface was not developed to capture users input. This weakness may make users confuse on the input and output since those input and output are displayed in the same worksheet. Besides, the existing Euler’s spreadsheet calculator is not interactive as there is no prompt message if there is a mistake in inputting the parameters. On top of that, there are no users’ instructions to guide users to input the derivative function. Hence, in this paper, we improved previous limitations by developing a user-friendly and interactive graphical user interface. This improvement is aimed to capture users’ input with users’ instructions and interactive prompt error messages by using VBA programming. This Euler’s graphical user interface spreadsheet calculator is not acted as a black box as users can click on any cells in the worksheet to see the formula used to implement the numerical scheme. In this way, it could enhance self-learning and life-long learning in implementing the numerical scheme in a spreadsheet and later in any programming language.
Carpenter, Mark H.; Fisher, Travis C.; Nielsen, Eric J.; Frankel, Steven H.
2013-01-01
Nonlinear entropy stability and a summation-by-parts framework are used to derive provably stable, polynomial-based spectral collocation methods of arbitrary order. The new methods are closely related to discontinuous Galerkin spectral collocation methods commonly known as DGFEM, but exhibit a more general entropy stability property. Although the new schemes are applicable to a broad class of linear and nonlinear conservation laws, emphasis herein is placed on the entropy stability of the compressible Navier-Stokes equations.
Kou, Jisheng; Sun, Shuyu
2017-01-01
In this paper, we consider a diffuse-interface gas-liquid two-phase flow model with inhomogeneous temperatures, in which we employ the Peng-Robinson equation of state and the temperature-dependent influence parameter instead of the van der Waals equation of state and the constant influence parameter used in the existing models. As a result, our model can characterize accurately the physical behaviors of numerous realistic gas-liquid fluids, especially hydrocarbons. Furthermore, we prove a relation associating the pressure gradient with the gradients of temperature and chemical potential, and thereby derive a new formulation of the momentum balance equation, which shows that gradients of the chemical potential and temperature become the primary driving force of the fluid motion. It is rigorously proved that the new formulations of the model obey the first and second laws of thermodynamics. To design efficient numerical methods, we prove that Helmholtz free energy density is a concave function with respect to the temperature under certain physical conditions. Based on the proposed modeling formulations and the convex-concave splitting of Helmholtz free energy density, we propose a novel thermodynamically stable numerical scheme. We rigorously prove that the proposed method satisfies the first and second laws of thermodynamics. Finally, numerical tests are carried out to verify the effectiveness of the proposed simulation method.
Kou, Jisheng
2017-12-06
In this paper, we consider a diffuse-interface gas-liquid two-phase flow model with inhomogeneous temperatures, in which we employ the Peng-Robinson equation of state and the temperature-dependent influence parameter instead of the van der Waals equation of state and the constant influence parameter used in the existing models. As a result, our model can characterize accurately the physical behaviors of numerous realistic gas-liquid fluids, especially hydrocarbons. Furthermore, we prove a relation associating the pressure gradient with the gradients of temperature and chemical potential, and thereby derive a new formulation of the momentum balance equation, which shows that gradients of the chemical potential and temperature become the primary driving force of the fluid motion. It is rigorously proved that the new formulations of the model obey the first and second laws of thermodynamics. To design efficient numerical methods, we prove that Helmholtz free energy density is a concave function with respect to the temperature under certain physical conditions. Based on the proposed modeling formulations and the convex-concave splitting of Helmholtz free energy density, we propose a novel thermodynamically stable numerical scheme. We rigorously prove that the proposed method satisfies the first and second laws of thermodynamics. Finally, numerical tests are carried out to verify the effectiveness of the proposed simulation method.
High-Performance Small-Scale Solvers for Moving Horizon Estimation
DEFF Research Database (Denmark)
Frison, Gianluca; Vukov, Milan; Poulsen, Niels Kjølstad
2015-01-01
implementation techniques focusing on small-scale problems. The proposed MHE solver is implemented using custom linear algebra routines and is compared against implementations using BLAS libraries. Additionally, the MHE solver is interfaced to a code generation tool for nonlinear model predictive control (NMPC...
Investigation on the Use of a Multiphase Eulerian CFD solver to simulate breaking waves
DEFF Research Database (Denmark)
Tomaselli, Pietro D.; Christensen, Erik Damgaard
2015-01-01
investigation on a CFD model capable of handling this problem. The model is based on a solver, available in the open-source CFD toolkit OpenFOAM, which combines the Eulerian multi-fluid approach for dispersed flows with a numerical interface sharpening method. The solver, enhanced with additional formulations...
Quantifying the Effects of Noise on Diffuse Interface Models: Cahn-Hilliard-Cook equations
Pfeifer, Spencer; Ganapathysubramanian, Baskar
2015-03-01
We present an investigation into the dynamics of phase separation through numerical simulations of the Cahn-Hilliard-Cook (CHC) equation. This model is an extension of the well-known Cahn- Hilliard equation, perturbed by an additive white noise. Studies have shown that random fluctuations are critical for proper resolution of physical phenomena. This is especially true for phase critical systems. We explore the transient behavior of the solution space for varying levels of noise. This is enabled by our massively scalable finite element-based numerical framework. We briefly examine the interplay between noise level and discretization (spatial and temporal) in obtaining statistically consistent solutions. We show that the added noise accelerates progress towards phase separation, but retards dynamics throughout subsequent coarsening. We identify a scaling exponent relating morphology metrics with the level of noise. We observe a very clear scaling effect of finite domain size, which is observed to be offset by increasing levels of noise. Domain scaling reveals a clear microstructural asymmetry at various stages of the evolution for lower noise levels. In contrast, higher noise levels tend to produce more uniform morphologies.
Fan, Xiaolin
2017-01-19
This paper presents a componentwise convex splitting scheme for numerical simulation of multicomponent two-phase fluid mixtures in a closed system at constant temperature, which is modeled by a diffuse interface model equipped with the Van der Waals and the Peng-Robinson equations of state (EoS). The Van der Waals EoS has a rigorous foundation in physics, while the Peng-Robinson EoS is more accurate for hydrocarbon mixtures. First, the phase field theory of thermodynamics and variational calculus are applied to a functional minimization problem of the total Helmholtz free energy. Mass conservation constraints are enforced through Lagrange multipliers. A system of chemical equilibrium equations is obtained which is a set of second-order elliptic equations with extremely strong nonlinear source terms. The steady state equations are transformed into a transient system as a numerical strategy on which the scheme is based. The proposed numerical algorithm avoids the indefiniteness of the Hessian matrix arising from the second-order derivative of homogeneous contribution of total Helmholtz free energy; it is also very efficient. This scheme is unconditionally componentwise energy stable and naturally results in unconditional stability for the Van der Waals model. For the Peng-Robinson EoS, it is unconditionally stable through introducing a physics-preserving correction term, which is analogous to the attractive term in the Van der Waals EoS. An efficient numerical algorithm is provided to compute the coefficient in the correction term. Finally, some numerical examples are illustrated to verify the theoretical results and efficiency of the established algorithms. The numerical results match well with laboratory data.
Two-Phase Fluid Simulation Using a Diffuse Interface Model with Peng--Robinson Equation of State
Qiao, Zhonghua
2014-01-01
In this paper, two-phase fluid systems are simulated using a diffusive interface model with the Peng-Robinson equation of state (EOS), a widely used realistic EOS for hydrocarbon fluid in the petroleum industry. We first utilize the gradient theory of thermodynamics and variational calculus to derive a generalized chemical equilibrium equation, which is mathematically a second-order elliptic partial differential equation (PDE) in molar density with a strongly nonlinear source term. To solve this PDE, we convert it to a time-dependent parabolic PDE with the main interest in its final steady state solution. A Lagrange multiplier is used to enforce mass conservation. The parabolic PDE is then solved by mixed finite element methods with a semi-implicit time marching scheme. Convex splitting of the energy functional is proposed to construct this time marching scheme, where the volume exclusion effect of an EOS is treated implicitly while the pairwise attraction effect of EOS is calculated explicitly. This scheme is proved to be unconditionally energy stable. Our proposed algorithm is able to solve successfully the spatially heterogeneous two-phase systems with the Peng-Robinson EOS in multiple spatial dimensions, the first time in the literature. Numerical examples are provided with realistic hydrocarbon components to illustrate the theory. Furthermore, our computational results are compared with laboratory experimental data and verified with the Young-Laplace equation with good agreement. This work sets the stage for a broad extension of efficient convex-splitting semi-implicit schemes for numerical simulation of phase field models with a realistic EOS in complex geometries of multiple spatial dimensions.
Parallel time domain solvers for electrically large transient scattering problems
Liu, Yang
2014-09-26
Marching on in time (MOT)-based integral equation solvers represent an increasingly appealing avenue for analyzing transient electromagnetic interactions with large and complex structures. MOT integral equation solvers for analyzing electromagnetic scattering from perfect electrically conducting objects are obtained by enforcing electric field boundary conditions and implicitly time advance electric surface current densities by iteratively solving sparse systems of equations at all time steps. Contrary to finite difference and element competitors, these solvers apply to nonlinear and multi-scale structures comprising geometrically intricate and deep sub-wavelength features residing atop electrically large platforms. Moreover, they are high-order accurate, stable in the low- and high-frequency limits, and applicable to conducting and penetrable structures represented by highly irregular meshes. This presentation reviews some recent advances in the parallel implementations of time domain integral equation solvers, specifically those that leverage multilevel plane-wave time-domain algorithm (PWTD) on modern manycore computer architectures including graphics processing units (GPUs) and distributed memory supercomputers. The GPU-based implementation achieves at least one order of magnitude speedups compared to serial implementations while the distributed parallel implementation are highly scalable to thousands of compute-nodes. A distributed parallel PWTD kernel has been adopted to solve time domain surface/volume integral equations (TDSIE/TDVIE) for analyzing transient scattering from large and complex-shaped perfectly electrically conducting (PEC)/dielectric objects involving ten million/tens of millions of spatial unknowns.
High order Poisson Solver for unbounded flows
DEFF Research Database (Denmark)
Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe
2015-01-01
This paper presents a high order method for solving the unbounded Poisson equation on a regular mesh using a Green’s function solution. The high order convergence was achieved by formulating mollified integration kernels, that were derived from a filter regularisation of the solution field....... The method was implemented on a rectangular domain using fast Fourier transforms (FFT) to increase computational efficiency. The Poisson solver was extended to directly solve the derivatives of the solution. This is achieved either by including the differential operator in the integration kernel...... the equations of fluid mechanics as an example, but can be used in many physical problems to solve the Poisson equation on a rectangular unbounded domain. For the two-dimensional case we propose an infinitely smooth test function which allows for arbitrary high order convergence. Using Gaussian smoothing...
T2CG1, a package of preconditioned conjugate gradient solvers for TOUGH2
International Nuclear Information System (INIS)
Moridis, G.; Pruess, K.; Antunez, E.
1994-03-01
Most of the computational work in the numerical simulation of fluid and heat flows in permeable media arises in the solution of large systems of linear equations. The simplest technique for solving such equations is by direct methods. However, because of large storage requirements and accumulation of roundoff errors, the application of direct solution techniques is limited, depending on matrix bandwidth, to systems of a few hundred to at most a few thousand simultaneous equations. T2CG1, a package of preconditioned conjugate gradient solvers, has been added to TOUGH2 to complement its direct solver and significantly increase the size of problems tractable on PCs. T2CG1 includes three different solvers: a Bi-Conjugate Gradient (BCG) solver, a Bi-Conjugate Gradient Squared (BCGS) solver, and a Generalized Minimum Residual (GMRES) solver. Results from six test problems with up to 30,000 equations show that T2CG1 (1) is significantly (and invariably) faster and requires far less memory than the MA28 direct solver, (2) it makes possible the solution of very large three-dimensional problems on PCs, and (3) that the BCGS solver is the fastest of the three in the tested problems. Sample problems are presented related to heat and fluid flow at Yucca Mountain and WIPP, environmental remediation by the Thermal Enhanced Vapor Extraction System, and geothermal resources
Scalable Newton-Krylov solver for very large power flow problems
Idema, R.; Lahaye, D.J.P.; Vuik, C.; Van der Sluis, L.
2010-01-01
The power flow problem is generally solved by the Newton-Raphson method with a sparse direct solver for the linear system of equations in each iteration. While this works fine for small power flow problems, we will show that for very large problems the direct solver is very slow and we present
Refined isogeometric analysis for a preconditioned conjugate gradient solver
Garcia, Daniel
2018-02-12
Starting from a highly continuous Isogeometric Analysis (IGA) discretization, refined Isogeometric Analysis (rIGA) introduces C0 hyperplanes that act as separators for the direct LU factorization solver. As a result, the total computational cost required to solve the corresponding system of equations using a direct LU factorization solver dramatically reduces (up to a factor of 55) Garcia et al. (2017). At the same time, rIGA enriches the IGA spaces, thus improving the best approximation error. In this work, we extend the complexity analysis of rIGA to the case of iterative solvers. We build an iterative solver as follows: we first construct the Schur complements using a direct solver over small subdomains (macro-elements). We then assemble those Schur complements into a global skeleton system. Subsequently, we solve this system iteratively using Conjugate Gradients (CG) with an incomplete LU (ILU) preconditioner. For a 2D Poisson model problem with a structured mesh and a uniform polynomial degree of approximation, rIGA achieves moderate savings with respect to IGA in terms of the number of Floating Point Operations (FLOPs) and computational time (in seconds) required to solve the resulting system of linear equations. For instance, for a mesh with four million elements and polynomial degree p=3, the iterative solver is approximately 2.6 times faster (in time) when applied to the rIGA system than to the IGA one. These savings occur because the skeleton rIGA system contains fewer non-zero entries than the IGA one. The opposite situation occurs for 3D problems, and as a result, 3D rIGA discretizations provide no gains with respect to their IGA counterparts when considering iterative solvers.
Implementing parallel elliptic solver on a Beowulf cluster
Directory of Open Access Journals (Sweden)
Marcin Paprzycki
1999-12-01
Full Text Available In a recent paper cite{zara} a parallel direct solver for the linear systems arising from elliptic partial differential equations has been proposed. The aim of this note is to present the initial evaluation of the performance characteristics of this algorithm on Beowulf-type cluster. In this context the performance of PVM and MPI based implementations is compared.
Simplified Eigen-structure decomposition solver for the simulation of two-phase flow systems
International Nuclear Information System (INIS)
Kumbaro, Anela
2012-01-01
This paper discusses the development of a new solver for a system of first-order non-linear differential equations that model the dynamics of compressible two-phase flow. The solver presents a lower-complexity alternative to Roe-type solvers because it only makes use of a partial Eigen-structure information while maintaining its accuracy: the outcome is hence a good complexity-tractability trade-off to consider as relevant in a large number of situations in the scope of two-phase flow numerical simulation. A number of numerical and physical benchmarks are presented to assess the solver. Comparison between the computational results from the simplified Eigen-structure decomposition solver and the conventional Roe-type solver gives insight upon the issues of accuracy, robustness and efficiency. (authors)
Sherlock Holmes, Master Problem Solver.
Ballew, Hunter
1994-01-01
Shows the connections between Sherlock Holmes's investigative methods and mathematical problem solving, including observations, characteristics of the problem solver, importance of data, questioning the obvious, learning from experience, learning from errors, and indirect proof. (MKR)
Minos: a SPN solver for core calculation in the DESCARTES system
International Nuclear Information System (INIS)
Baudron, A.M.; Lautard, J.J.
2005-01-01
This paper describes a new development of a neutronic core solver done in the context of a new generation neutronic reactor computational system, named DESCARTES. For performance reasons, the numerical method of the existing MINOS solver in the SAPHYR system has been reused in the new system. It is based on the mixed dual finite element approximation of the simplified transport equation. The solver takes into account assembly discontinuity coefficients (ADF) in the simplified transport equation (SPN) context. The solver has been rewritten in C++ programming language using an object oriented design. Its general architecture was reconsidered in order to improve its capability of evolution and its maintainability. Moreover, the performances of the old version have been improved mainly regarding the matrix construction time; this result improves significantly the performance of the solver in the context of industrial application requiring thermal hydraulic feedback and depletion calculations. (authors)
GPU-Accelerated Sparse Matrix Solvers for Large-Scale Simulations, Phase II
National Aeronautics and Space Administration — At the heart of scientific computing and numerical analysis are linear algebra solvers. In scientific computing, the focus is on the partial differential equations...
MINARET: Towards a time-dependent neutron transport parallel solver
International Nuclear Information System (INIS)
Baudron, A.M.; Lautard, J.J.; Maday, Y.; Mula, O.
2013-01-01
We present the newly developed time-dependent 3D multigroup discrete ordinates neutron transport solver that has recently been implemented in the MINARET code. The solver is the support for a study about computing acceleration techniques that involve parallel architectures. In this work, we will focus on the parallelization of two of the variables involved in our equation: the angular directions and the time. This last variable has been parallelized by a (time) domain decomposition method called the para-real in time algorithm. (authors)
Fast Laplace solver approach to pore-scale permeability
Arns, C. H.; Adler, P. M.
2018-02-01
We introduce a powerful and easily implemented method to calculate the permeability of porous media at the pore scale using an approximation based on the Poiseulle equation to calculate permeability to fluid flow with a Laplace solver. The method consists of calculating the Euclidean distance map of the fluid phase to assign local conductivities and lends itself naturally to the treatment of multiscale problems. We compare with analytical solutions as well as experimental measurements and lattice Boltzmann calculations of permeability for Fontainebleau sandstone. The solver is significantly more stable than the lattice Boltzmann approach, uses less memory, and is significantly faster. Permeabilities are in excellent agreement over a wide range of porosities.
A parallel solver for huge dense linear systems
Badia, J. M.; Movilla, J. L.; Climente, J. I.; Castillo, M.; Marqués, M.; Mayo, R.; Quintana-Ortí, E. S.; Planelles, J.
2011-11-01
HDSS (Huge Dense Linear System Solver) is a Fortran Application Programming Interface (API) to facilitate the parallel solution of very large dense systems to scientists and engineers. The API makes use of parallelism to yield an efficient solution of the systems on a wide range of parallel platforms, from clusters of processors to massively parallel multiprocessors. It exploits out-of-core strategies to leverage the secondary memory in order to solve huge linear systems O(100.000). The API is based on the parallel linear algebra library PLAPACK, and on its Out-Of-Core (OOC) extension POOCLAPACK. Both PLAPACK and POOCLAPACK use the Message Passing Interface (MPI) as the communication layer and BLAS to perform the local matrix operations. The API provides a friendly interface to the users, hiding almost all the technical aspects related to the parallel execution of the code and the use of the secondary memory to solve the systems. In particular, the API can automatically select the best way to store and solve the systems, depending of the dimension of the system, the number of processes and the main memory of the platform. Experimental results on several parallel platforms report high performance, reaching more than 1 TFLOP with 64 cores to solve a system with more than 200 000 equations and more than 10 000 right-hand side vectors. New version program summaryProgram title: Huge Dense System Solver (HDSS) Catalogue identifier: AEHU_v1_1 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHU_v1_1.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 87 062 No. of bytes in distributed program, including test data, etc.: 1 069 110 Distribution format: tar.gz Programming language: Fortran90, C Computer: Parallel architectures: multiprocessors, computer clusters Operating system
MINOS: A simplified Pn solver for core calculation
International Nuclear Information System (INIS)
Baudron, A.M.; Lautard, J.J.
2007-01-01
This paper describes a new generation of the neutronic core solver MINOS resulting from developments done in the DESCARTES project. For performance reasons, the numerical method of the existing MINOS solver in the SAPHYR system has been reused in the new system. It is based on the mixed-dual finite element approximation of the simplified transport equation. We have extended the previous method to the treatment of unstructured geometries composed by quadrilaterals, allowing us to treat geometries where fuel pins are exactly represented. For Cartesian geometries, the solver takes into account assembly discontinuity coefficients in the simplified P n context. The solver has been rewritten in C + + programming language using an object-oriented design. Its general architecture was reconsidered in order to improve its capability of evolution and its maintainability. Moreover, the performance of the previous version has been improved mainly regarding the matrix construction time; this result improves significantly the performance of the solver in the context of industrial application requiring thermal-hydraulic feedback and depletion calculations. (authors)
CVFEM for Multiphase Flow with Disperse and Interface Tracking, and Algorithms Performances
Directory of Open Access Journals (Sweden)
M. Milanez
2015-12-01
Full Text Available A Control-Volume Finite-Element Method (CVFEM is newly formulated within Eulerian and spatial averaging frameworks for effective simulation of disperse transport, deposit distribution and interface tracking. Their algorithms are implemented alongside an existing continuous phase algorithm. Flow terms are newly implemented for a control volume (CV fixed in a space, and the CVs' equations are assembled based on a finite element method (FEM. Upon impacting stationary and moving boundaries, the disperse phase changes its phase and the solver triggers identification of CVs with excess deposit and their neighboring CVs for its accommodation in front of an interface. The solver then updates boundary conditions on the moving interface as well as domain conditions on the accumulating deposit. Corroboration of the algorithms' performances is conducted on illustrative simulations with novel and existing Eulerian and Lagrangian solutions, such as (- other, i. e. external methods with analytical and physical experimental formulations, and (- characteristics internal to CVFEM.
Self-correcting Multigrid Solver
International Nuclear Information System (INIS)
Lewandowski, Jerome L.V.
2004-01-01
A new multigrid algorithm based on the method of self-correction for the solution of elliptic problems is described. The method exploits information contained in the residual to dynamically modify the source term (right-hand side) of the elliptic problem. It is shown that the self-correcting solver is more efficient at damping the short wavelength modes of the algebraic error than its standard equivalent. When used in conjunction with a multigrid method, the resulting solver displays an improved convergence rate with no additional computational work
PCX, Interior-Point Linear Programming Solver
International Nuclear Information System (INIS)
Czyzyk, J.
2004-01-01
1 - Description of program or function: PCX solves linear programming problems using the Mehrota predictor-corrector interior-point algorithm. PCX can be called as a subroutine or used in stand-alone mode, with data supplied from an MPS file. The software incorporates modules that can be used separately from the linear programming solver, including a pre-solve routine and data structure definitions. 2 - Methods: The Mehrota predictor-corrector method is a primal-dual interior-point method for linear programming. The starting point is determined from a modified least squares heuristic. Linear systems of equations are solved at each interior-point iteration via a sparse Cholesky algorithm native to the code. A pre-solver is incorporated in the code to eliminate inefficiencies in the user's formulation of the problem. 3 - Restriction on the complexity of the problem: There are no size limitations built into the program. The size of problem solved is limited by RAM and swap space on the user's computer
International Nuclear Information System (INIS)
Kokh, S.
2001-01-01
This research thesis reports the development of a numerical direct simulation of compressible two-phase flows by using interface capturing methods. These techniques are based on the use of an Eulerian fixed grid to describe flow variables as well as the interface between fluids. The author first recalls conventional interface capturing methods and makes the distinction between those based on discontinuous colour functions and those based on level set functions. The approach is then extended to a five equation model to allow the largest as possible choice of state equations for the fluids. Three variants are developed. A solver inspired by the Roe scheme is developed for one of them. These interface capturing methods are then refined, more particularly for problems of numerical diffusion at the interface. A last part addresses the study of dynamic phase change. Non-conventional thermodynamics tools are used to study the structures of an interface which performs phase transition [fr
Development of axisymmetric lattice Boltzmann flux solver for complex multiphase flows
Wang, Yan; Shu, Chang; Yang, Li-Ming; Yuan, Hai-Zhuan
2018-05-01
This paper presents an axisymmetric lattice Boltzmann flux solver (LBFS) for simulating axisymmetric multiphase flows. In the solver, the two-dimensional (2D) multiphase LBFS is applied to reconstruct macroscopic fluxes excluding axisymmetric effects. Source terms accounting for axisymmetric effects are introduced directly into the governing equations. As compared to conventional axisymmetric multiphase lattice Boltzmann (LB) method, the present solver has the kinetic feature for flux evaluation and avoids complex derivations of external forcing terms. In addition, the present solver also saves considerable computational efforts in comparison with three-dimensional (3D) computations. The capability of the proposed solver in simulating complex multiphase flows is demonstrated by studying single bubble rising in a circular tube. The obtained results compare well with the published data.
Implementation of density-based solver for all speeds in the framework of OpenFOAM
Shen, Chun; Sun, Fengxian; Xia, Xinlin
2014-10-01
In the framework of open source CFD code OpenFOAM, a density-based solver for all speeds flow field is developed. In this solver the preconditioned all speeds AUSM+(P) scheme is adopted and the dual time scheme is implemented to complete the unsteady process. Parallel computation could be implemented to accelerate the solving process. Different interface reconstruction algorithms are implemented, and their accuracy with respect to convection is compared. Three benchmark tests of lid-driven cavity flow, flow crossing over a bump, and flow over a forward-facing step are presented to show the accuracy of the AUSM+(P) solver for low-speed incompressible flow, transonic flow, and supersonic/hypersonic flow. Firstly, for the lid driven cavity flow, the computational results obtained by different interface reconstruction algorithms are compared. It is indicated that the one dimensional reconstruction scheme adopted in this solver possesses high accuracy and the solver developed in this paper can effectively catch the features of low incompressible flow. Then via the test cases regarding the flow crossing over bump and over forward step, the ability to capture characteristics of the transonic and supersonic/hypersonic flows are confirmed. The forward-facing step proves to be the most challenging for the preconditioned solvers with and without the dual time scheme. Nonetheless, the solvers described in this paper reproduce the main features of this flow, including the evolution of the initial transient.
Iterative solvers in forming process simulations
van den Boogaard, Antonius H.; Rietman, Bert; Huetink, Han
1998-01-01
The use of iterative solvers in implicit forming process simulations is studied. The time and memory requirements are compared with direct solvers and assessed in relation with the rest of the Newton-Raphson iteration process. It is shown that conjugate gradient{like solvers with a proper
International Nuclear Information System (INIS)
Brassier, Stephane
1998-01-01
The Magnetohydrodynamic (MHD) equations represent the coupling between fluid dynamics equations and Maxwell's equations. We consider here a new MHD model with two temperatures. A Roe scheme is first constructed in the one dimensional case, for a multi-species model and a general equation of state. The multidimensional case is treated thanks to the Powell approach. The notion of Roe-Powell matrix, generalization of the notion of Roe matrix for multidimensional MHD, allows us to develop an original scheme on a curvilinear grid. We focus on a second part on the modelling of a Plasma Opening Switch (POS). A front-tracking method is first set up, in order to correctly handle the deformation of the front between the vacuum and the plasma. Besides, by taking into account a general Ohm's law, we have to deal with the Hall effect, which leads to nonlinear transport equations with discontinuous coefficients. Several numerical schemes are proposed and tested on a variety of test cases. This work has allowed us to construct an industrial MHD code, intended to handle complex flows and in particular to correctly simulate the behaviour of the POS. (author) [fr
Minaret, a deterministic neutron transport solver for nuclear core calculations
International Nuclear Information System (INIS)
Moller, J-Y.; Lautard, J-J.
2011-01-01
We present here MINARET a deterministic transport solver for nuclear core calculations to solve the steady state Boltzmann equation. The code follows the multi-group formalism to discretize the energy variable. It uses discrete ordinate method to deal with the angular variable and a DGFEM to solve spatially the Boltzmann equation. The mesh is unstructured in 2D and semi-unstructured in 3D (cylindrical). Curved triangles can be used to fit the exact geometry. For the curved elements, two different sets of basis functions can be used. Transport solver is accelerated with a DSA method. Diffusion and SPN calculations are made possible by skipping the transport sweep in the source iteration. The transport calculations are parallelized with respect to the angular directions. Numerical results are presented for simple geometries and for the C5G7 Benchmark, JHR reactor and the ESFR (in 2D and 3D). Straight and curved finite element results are compared. (author)
Minaret, a deterministic neutron transport solver for nuclear core calculations
Energy Technology Data Exchange (ETDEWEB)
Moller, J-Y.; Lautard, J-J., E-mail: jean-yves.moller@cea.fr, E-mail: jean-jacques.lautard@cea.fr [CEA - Centre de Saclay , Gif sur Yvette (France)
2011-07-01
We present here MINARET a deterministic transport solver for nuclear core calculations to solve the steady state Boltzmann equation. The code follows the multi-group formalism to discretize the energy variable. It uses discrete ordinate method to deal with the angular variable and a DGFEM to solve spatially the Boltzmann equation. The mesh is unstructured in 2D and semi-unstructured in 3D (cylindrical). Curved triangles can be used to fit the exact geometry. For the curved elements, two different sets of basis functions can be used. Transport solver is accelerated with a DSA method. Diffusion and SPN calculations are made possible by skipping the transport sweep in the source iteration. The transport calculations are parallelized with respect to the angular directions. Numerical results are presented for simple geometries and for the C5G7 Benchmark, JHR reactor and the ESFR (in 2D and 3D). Straight and curved finite element results are compared. (author)
A Nonlinear Modal Aeroelastic Solver for FUN3D
Goldman, Benjamin D.; Bartels, Robert E.; Biedron, Robert T.; Scott, Robert C.
2016-01-01
A nonlinear structural solver has been implemented internally within the NASA FUN3D computational fluid dynamics code, allowing for some new aeroelastic capabilities. Using a modal representation of the structure, a set of differential or differential-algebraic equations are derived for general thin structures with geometric nonlinearities. ODEPACK and LAPACK routines are linked with FUN3D, and the nonlinear equations are solved at each CFD time step. The existing predictor-corrector method is retained, whereby the structural solution is updated after mesh deformation. The nonlinear solver is validated using a test case for a flexible aeroshell at transonic, supersonic, and hypersonic flow conditions. Agreement with linear theory is seen for the static aeroelastic solutions at relatively low dynamic pressures, but structural nonlinearities limit deformation amplitudes at high dynamic pressures. No flutter was found at any of the tested trajectory points, though LCO may be possible in the transonic regime.
Energy Technology Data Exchange (ETDEWEB)
Alali, Abdullah
2014-02-21
The one-group interfacial area transport equation has been coupled to a wall heat flux partitioning model in the framework of two-phase Eulerian approach using the OpenFOAM CFD code for better prediction of subcooled boiling phenomena which is essential for safety analysis of nuclear reactors. The interfacial area transport equation has been modified to include the effect of bubble nucleation at the wall and condensation by subcooled liquid in the bulk that governs the non-uniform bubble size distribution.
International Nuclear Information System (INIS)
Alali, Abdullah
2014-01-01
The one-group interfacial area transport equation has been coupled to a wall heat flux partitioning model in the framework of two-phase Eulerian approach using the OpenFOAM CFD code for better prediction of subcooled boiling phenomena which is essential for safety analysis of nuclear reactors. The interfacial area transport equation has been modified to include the effect of bubble nucleation at the wall and condensation by subcooled liquid in the bulk that governs the non-uniform bubble size distribution.
A generalized gyrokinetic Poisson solver
International Nuclear Information System (INIS)
Lin, Z.; Lee, W.W.
1995-03-01
A generalized gyrokinetic Poisson solver has been developed, which employs local operations in the configuration space to compute the polarization density response. The new technique is based on the actual physical process of gyrophase-averaging. It is useful for nonlocal simulations using general geometry equilibrium. Since it utilizes local operations rather than the global ones such as FFT, the new method is most amenable to massively parallel algorithms
Energy Technology Data Exchange (ETDEWEB)
Fisher, A. C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Bailey, D. S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Kaiser, T. B. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Eder, D. C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Gunney, B. T. N. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Masters, N. D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Koniges, A. E. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Anderson, R. W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2015-02-01
Here, we present a novel method for the solution of the diffusion equation on a composite AMR mesh. This approach is suitable for including diffusion based physics modules to hydrocodes that support ALE and AMR capabilities. To illustrate, we proffer our implementations of diffusion based radiation transport and heat conduction in a hydrocode called ALE-AMR. Numerical experiments conducted with the diffusion solver and associated physics packages yield 2nd order convergence in the L_{2} norm.
A General Symbolic PDE Solver Generator: Explicit Schemes
Directory of Open Access Journals (Sweden)
K. Sheshadri
2003-01-01
Full Text Available A symbolic solver generator to deal with a system of partial differential equations (PDEs in functions of an arbitrary number of variables is presented; it can also handle arbitrary domains (geometries of the independent variables. Given a system of PDEs, the solver generates a set of explicit finite-difference methods to any specified order, and a Fourier stability criterion for each method. For a method that is stable, an iteration function is generated symbolically using the PDE and its initial and boundary conditions. This iteration function is dynamically generated for every PDE problem, and its evaluation provides a solution to the PDE problem. A C++/Fortran 90 code for the iteration function is generated using the MathCode system, which results in a performance gain of the order of a thousand over Mathematica, the language that has been used to code the solver generator. Examples of stability criteria are presented that agree with known criteria; examples that demonstrate the generality of the solver and the speed enhancement of the generated C++ and Fortran 90 codes are also presented.
Experimental validation of a boundary element solver for exterior acoustic radiation problems
Visser, Rene; Nilsson, A.; Boden, H.
2003-01-01
The relation between harmonic structural vibrations and the corresponding acoustic radiation is given by the Helmholtz integral equation (HIE). To solve this integral equation a new solver (BEMSYS) based on the boundary element method (BEM) has been implemented. This numerical tool can be used for
Fan, Xiaolin; Kou, Jisheng; Qiao, Zhonghua; Sun, Shuyu
2017-01-01
are applied to a functional minimization problem of the total Helmholtz free energy. Mass conservation constraints are enforced through Lagrange multipliers. A system of chemical equilibrium equations is obtained which is a set of second-order elliptic
Scalable smoothing strategies for a geometric multigrid method for the immersed boundary equations
Energy Technology Data Exchange (ETDEWEB)
Bhalla, Amneet Pal Singh [Univ. of North Carolina, Chapel Hill, NC (United States); Knepley, Matthew G. [Rice Univ., Houston, TX (United States); Adams, Mark F. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Guy, Robert D. [Univ. of California, Davis, CA (United States); Griffith, Boyce E. [Univ. of North Carolina, Chapel Hill, NC (United States)
2016-12-20
The immersed boundary (IB) method is a widely used approach to simulating fluid-structure interaction (FSI). Although explicit versions of the IB method can suffer from severe time step size restrictions, these methods remain popular because of their simplicity and generality. In prior work (Guy et al., Adv Comput Math, 2015), some of us developed a geometric multigrid preconditioner for a stable semi-implicit IB method under Stokes flow conditions; however, this solver methodology used a Vanka-type smoother that presented limited opportunities for parallelization. This work extends this Stokes-IB solver methodology by developing smoothing techniques that are suitable for parallel implementation. Specifically, we demonstrate that an additive version of the Vanka smoother can yield an effective multigrid preconditioner for the Stokes-IB equations, and we introduce an efficient Schur complement-based smoother that is also shown to be effective for the Stokes-IB equations. We investigate the performance of these solvers for a broad range of material stiffnesses, both for Stokes flows and flows at nonzero Reynolds numbers, and for thick and thin structural models. We show here that linear solver performance degrades with increasing Reynolds number and material stiffness, especially for thin interface cases. Nonetheless, the proposed approaches promise to yield effective solution algorithms, especially at lower Reynolds numbers and at modest-to-high elastic stiffnesses.
Energy Technology Data Exchange (ETDEWEB)
Park, Sun Ho [Korea Maritime and Ocean University, Busan (Korea, Republic of); Rhee, Shin Hyung [Seoul National University, Seoul (Korea, Republic of)
2015-08-15
Incompressible flow solvers are generally used for numerical analysis of cavitating flows, but with limitations in handling compressibility effects on vapor phase. To study compressibility effects on vapor phase and cavity interface, pressure-based incompressible and isothermal compressible flow solvers based on a cell-centered finite volume method were developed using the OpenFOAM libraries. To validate the solvers, cavitating flow around a hemispherical head-form body was simulated and validated against the experimental data. The cavity shedding behavior, length of a re-entrant jet, drag history, and the Strouhal number were compared between the two solvers. The results confirmed that computations of the cavitating flow including compressibility effects improved the reproduction of cavitation dynamics.
Acceleration of FDTD mode solver by high-performance computing techniques.
Han, Lin; Xi, Yanping; Huang, Wei-Ping
2010-06-21
A two-dimensional (2D) compact finite-difference time-domain (FDTD) mode solver is developed based on wave equation formalism in combination with the matrix pencil method (MPM). The method is validated for calculation of both real guided and complex leaky modes of typical optical waveguides against the bench-mark finite-difference (FD) eigen mode solver. By taking advantage of the inherent parallel nature of the FDTD algorithm, the mode solver is implemented on graphics processing units (GPUs) using the compute unified device architecture (CUDA). It is demonstrated that the high-performance computing technique leads to significant acceleration of the FDTD mode solver with more than 30 times improvement in computational efficiency in comparison with the conventional FDTD mode solver running on CPU of a standard desktop computer. The computational efficiency of the accelerated FDTD method is in the same order of magnitude of the standard finite-difference eigen mode solver and yet require much less memory (e.g., less than 10%). Therefore, the new method may serve as an efficient, accurate and robust tool for mode calculation of optical waveguides even when the conventional eigen value mode solvers are no longer applicable due to memory limitation.
Hybrid Multiphase CFD Solver for Coupled Dispersed/Segregated Flows in Liquid-Liquid Extraction
Directory of Open Access Journals (Sweden)
Kent E. Wardle
2013-01-01
Full Text Available The flows in stage-wise liquid-liquid extraction devices include both phase segregated and dispersed flow regimes. As a additional layer of complexity, for extraction equipment such as the annular centrifugal contactor, free-surface flows also play a critical role in both the mixing and separation regions of the device and cannot be neglected. Traditionally, computional fluid dynamics (CFD of multiphase systems is regime dependent—different methods are used for segregated and dispersed flows. A hybrid multiphase method based on the combination of an Eulerian multifluid solution framework (per-phase momentum equations and sharp interface capturing using Volume of Fluid (VOF on selected phase pairs has been developed using the open-source CFD toolkit OpenFOAM. Demonstration of the solver capability is presented through various examples relevant to liquid-liquid extraction device flows including three-phase, liquid-liquid-air simulations in which a sharp interface is maintained between each liquid and air, but dispersed phase modeling is used for the liquid-liquid interactions.
Status and Perspective of the Hydraulic Solver development for SPACE code
International Nuclear Information System (INIS)
Lee, S. Y.; Oh, M. T.; Park, J. C.; Ahn, S. J.; Park, C. E.; Lee, E. J.; Na, Y. W.
2008-01-01
KOPEC has been developing a hydraulic solver for SPACE code. The governing equations for the solver can be obtained through several steps of modeling and approximations from the basic material transport principles. Once the governing equations are fixed, a proper discretization procedure should be followed to get the difference equations that can be solved by well established matrix solvers. Of course, the mesh generation and handling procedures are necessary for the discretization process. At present, the preliminary test version has been constructed and being tested. The selection of the compiler language was debated openly. C++ was chosen as a basis compiler language. But other language such as FORTRAN can be used as it is necessary. The steps mentioned above are explained in the following sections. Test results are presented by other companion papers in this meeting. Future activities will be described in the conclusion section
Accelerated Cyclic Reduction: A Distributed-Memory Fast Solver for Structured Linear Systems
Chávez, Gustavo
2017-12-15
We present Accelerated Cyclic Reduction (ACR), a distributed-memory fast solver for rank-compressible block tridiagonal linear systems arising from the discretization of elliptic operators, developed here for three dimensions. Algorithmic synergies between Cyclic Reduction and hierarchical matrix arithmetic operations result in a solver that has O(kNlogN(logN+k2)) arithmetic complexity and O(k Nlog N) memory footprint, where N is the number of degrees of freedom and k is the rank of a block in the hierarchical approximation, and which exhibits substantial concurrency. We provide a baseline for performance and applicability by comparing with the multifrontal method with and without hierarchical semi-separable matrices, with algebraic multigrid and with the classic cyclic reduction method. Over a set of large-scale elliptic systems with features of nonsymmetry and indefiniteness, the robustness of the direct solvers extends beyond that of the multigrid solver, and relative to the multifrontal approach ACR has lower or comparable execution time and size of the factors, with substantially lower numerical ranks. ACR exhibits good strong and weak scaling in a distributed context and, as with any direct solver, is advantageous for problems that require the solution of multiple right-hand sides. Numerical experiments show that the rank k patterns are of O(1) for the Poisson equation and of O(n) for the indefinite Helmholtz equation. The solver is ideal in situations where low-accuracy solutions are sufficient, or otherwise as a preconditioner within an iterative method.
Accelerated Cyclic Reduction: A Distributed-Memory Fast Solver for Structured Linear Systems
Chá vez, Gustavo; Turkiyyah, George; Zampini, Stefano; Ltaief, Hatem; Keyes, David E.
2017-01-01
We present Accelerated Cyclic Reduction (ACR), a distributed-memory fast solver for rank-compressible block tridiagonal linear systems arising from the discretization of elliptic operators, developed here for three dimensions. Algorithmic synergies between Cyclic Reduction and hierarchical matrix arithmetic operations result in a solver that has O(kNlogN(logN+k2)) arithmetic complexity and O(k Nlog N) memory footprint, where N is the number of degrees of freedom and k is the rank of a block in the hierarchical approximation, and which exhibits substantial concurrency. We provide a baseline for performance and applicability by comparing with the multifrontal method with and without hierarchical semi-separable matrices, with algebraic multigrid and with the classic cyclic reduction method. Over a set of large-scale elliptic systems with features of nonsymmetry and indefiniteness, the robustness of the direct solvers extends beyond that of the multigrid solver, and relative to the multifrontal approach ACR has lower or comparable execution time and size of the factors, with substantially lower numerical ranks. ACR exhibits good strong and weak scaling in a distributed context and, as with any direct solver, is advantageous for problems that require the solution of multiple right-hand sides. Numerical experiments show that the rank k patterns are of O(1) for the Poisson equation and of O(n) for the indefinite Helmholtz equation. The solver is ideal in situations where low-accuracy solutions are sufficient, or otherwise as a preconditioner within an iterative method.
Development of an Application Programming Interface for Depletion Analysis (APIDA)
International Nuclear Information System (INIS)
Lago, Daniel; Rahnema, Farzad
2017-01-01
Highlights: • APIDA an Application Programming Interface tool for Depletion Analysis. • APIDA employs a matrix exponential method and a linear chain method. • A burnup solver to couple to neutron transport solvers in lattice depletion or reactor core analysis codes. - Abstract: A new utility has been developed with extensive capabilities in identifying nuclide decay and transmutation characteristics, allowing for accurate and efficient tracking of the change in isotopic concentrations in nuclear reactor fuel over time when coupled with a transport solution method. This tool, named the Application Programming Interface for Depletion Analysis (APIDA), employs both a matrix exponential method and a linear chain method to solve for the end-of-time-step nuclide concentrations for all isotopes relevant to nuclear reactors. The Chebyshev Rational Approximation Method (CRAM) was utilized to deal with the ill-conditioned matrices generated during lattice depletion calculations, and a complex linear chain solver was developed to handle isotopes reduced from the burnup matrix due to either radioactive stability or a sufficiently low neutron-induced reaction cross section. The entire tool is housed in a robust but simple application programming interface (API). The development of this API allows other codes, particularly numerical neutron transport solvers, to incorporate APIDA as the burnup solver in a lattice depletion code or reactor core analysis code in memory, without the need to write or read from the hard disk. The APIDA code was benchmarked using several decay and transmutation chains. Burnup solutions produced by APIDA were shown to provide material concentrations comparable to the analytically solved Bateman equations – well below 0.01% relative error for even the most extreme cases using isotopes with vastly different decay constants. As a first order demonstration of the API, APIDA was coupled with the transport solver in the SERPENT code for a fuel pin
An Investigation of the Performance of the Colored Gauss-Seidel Solver on CPU and GPU
International Nuclear Information System (INIS)
Yoon, Jong Seon; Choi, Hyoung Gwon; Jeon, Byoung Jin
2017-01-01
The performance of the colored Gauss–Seidel solver on CPU and GPU was investigated for the two- and three-dimensional heat conduction problems by using different mesh sizes. The heat conduction equation was discretized by the finite difference method and finite element method. The CPU yielded good performance for small problems but deteriorated when the total memory required for computing was larger than the cache memory for large problems. In contrast, the GPU performed better as the mesh size increased because of the latency hiding technique. Further, GPU computation by the colored Gauss–Siedel solver was approximately 7 times that by the single CPU. Furthermore, the colored Gauss–Seidel solver was found to be approximately twice that of the Jacobi solver when parallel computing was conducted on the GPU.
Tests of a 3D Self Magnetic Field Solver in the Finite Element Gun Code MICHELLE
Nelson, Eric M
2005-01-01
We have recently implemented a prototype 3d self magnetic field solver in the finite-element gun code MICHELLE. The new solver computes the magnetic vector potential on unstructured grids. The solver employs edge basis functions in the curl-curl formulation of the finite-element method. A novel current accumulation algorithm takes advantage of the unstructured grid particle tracker to produce a compatible source vector, for which the singular matrix equation is easily solved by the conjugate gradient method. We will present some test cases demonstrating the capabilities of the prototype 3d self magnetic field solver. One test case is self magnetic field in a square drift tube. Another is a relativistic axisymmetric beam freely expanding in a round pipe.
User's Manual for PCSMS (Parallel Complex Sparse Matrix Solver). Version 1.
Reddy, C. J.
2000-01-01
PCSMS (Parallel Complex Sparse Matrix Solver) is a computer code written to make use of the existing real sparse direct solvers to solve complex, sparse matrix linear equations. PCSMS converts complex matrices into real matrices and use real, sparse direct matrix solvers to factor and solve the real matrices. The solution vector is reconverted to complex numbers. Though, this utility is written for Silicon Graphics (SGI) real sparse matrix solution routines, it is general in nature and can be easily modified to work with any real sparse matrix solver. The User's Manual is written to make the user acquainted with the installation and operation of the code. Driver routines are given to aid the users to integrate PCSMS routines in their own codes.
An Investigation of the Performance of the Colored Gauss-Seidel Solver on CPU and GPU
Energy Technology Data Exchange (ETDEWEB)
Yoon, Jong Seon; Choi, Hyoung Gwon [Seoul Nat’l Univ. of Science and Technology, Seoul (Korea, Republic of); Jeon, Byoung Jin [Yonsei Univ., Seoul (Korea, Republic of)
2017-02-15
The performance of the colored Gauss–Seidel solver on CPU and GPU was investigated for the two- and three-dimensional heat conduction problems by using different mesh sizes. The heat conduction equation was discretized by the finite difference method and finite element method. The CPU yielded good performance for small problems but deteriorated when the total memory required for computing was larger than the cache memory for large problems. In contrast, the GPU performed better as the mesh size increased because of the latency hiding technique. Further, GPU computation by the colored Gauss–Siedel solver was approximately 7 times that by the single CPU. Furthermore, the colored Gauss–Seidel solver was found to be approximately twice that of the Jacobi solver when parallel computing was conducted on the GPU.
ODEPACK, Initial Value Problems of Ordinary Differential Equation System
International Nuclear Information System (INIS)
Hindmarsh, A.C.; Petzold, L.R.
2005-01-01
I - Description of program or function: ODEPACK is a collection of Fortran solvers for the initial value problem for ordinary differential equation systems. It consists of nine solvers, namely a basic solver called LSODE and eight variants of it -- LSODES, LSODA, LSODAR, LSODPK, LSODKR, LSODI, LSOIBT, and LSODIS. The collection is suitable for both stiff and non-stiff systems. It includes solvers for systems given in explicit form, dy/dt = f(t,y), and also solvers for systems given in linearly implicit form, A(t,y) dy/dt = g(t,y). Two of the solvers use general sparse matrix solvers for the linear systems that arise. Two others use iterative (preconditioned Krylov) methods instead of direct methods for these linear systems. The most recent addition is LSODIS, which solves implicit problems with general sparse treatment of all matrices involved. The ODEPACK solvers are written in standard Fortran 77, with a few exceptions, and with minimal machine dependencies. There are separate double and single precision versions of ODEPACK. The actual solver names are those given above with a prefix of D- or S- for the double or single precision version, respectively, i.e. DLSODE/SLSODE, etc. Each solver consists of a main driver subroutine having the same name as the solver and some number of subordinate routines. For each solver, there is also a demonstration program, which solves one or two simple problems in a somewhat self-checking manner. A. Solvers for explicitly given systems. For each of the following solvers, it is assumed that the ODEs are given explicitly, so that the system can be written in the form dy/dt = f(t,y), where y is the vector of dependent variables, and t is the independent variable. 1. LSODE (Livermore Solver for Ordinary Differential Equations) is the basic solver of the collection. It solves stiff and non-stiff systems of the form dy/dt = f. In the stiff case, it treats the Jacobian matrix df/dy as either a dense (full) or a banded matrix, and as
Collier, Nathan; Pardo, David; Dalcí n, Lisandro D.; Paszyński, Maciej R.; Calo, Victor M.
2012-01-01
We study the performance of direct solvers on linear systems of equations resulting from isogeometric analysis. The problem of choice is the canonical Laplace equation in three dimensions. From this study we conclude that for a fixed number of unknowns and polynomial degree of approximation, a higher degree of continuity k drastically increases the CPU time and RAM needed to solve the problem when using a direct solver. This paper presents numerical results detailing the phenomenon as well as a theoretical analysis that explains the underlying cause. © 2011 Elsevier B.V.
Collier, Nathan
2012-03-01
We study the performance of direct solvers on linear systems of equations resulting from isogeometric analysis. The problem of choice is the canonical Laplace equation in three dimensions. From this study we conclude that for a fixed number of unknowns and polynomial degree of approximation, a higher degree of continuity k drastically increases the CPU time and RAM needed to solve the problem when using a direct solver. This paper presents numerical results detailing the phenomenon as well as a theoretical analysis that explains the underlying cause. © 2011 Elsevier B.V.
IGA-ADS: Isogeometric analysis FEM using ADS solver
Łoś, Marcin M.; Woźniak, Maciej; Paszyński, Maciej; Lenharth, Andrew; Hassaan, Muhamm Amber; Pingali, Keshav
2017-08-01
In this paper we present a fast explicit solver for solution of non-stationary problems using L2 projections with isogeometric finite element method. The solver has been implemented within GALOIS framework. It enables parallel multi-core simulations of different time-dependent problems, in 1D, 2D, or 3D. We have prepared the solver framework in a way that enables direct implementation of the selected PDE and corresponding boundary conditions. In this paper we describe the installation, implementation of exemplary three PDEs, and execution of the simulations on multi-core Linux cluster nodes. We consider three case studies, including heat transfer, linear elasticity, as well as non-linear flow in heterogeneous media. The presented package generates output suitable for interfacing with Gnuplot and ParaView visualization software. The exemplary simulations show near perfect scalability on Gilbert shared-memory node with four Intel® Xeon® CPU E7-4860 processors, each possessing 10 physical cores (for a total of 40 cores).
NITSOL: A Newton iterative solver for nonlinear systems
Energy Technology Data Exchange (ETDEWEB)
Pernice, M. [Univ. of Utah, Salt Lake City, UT (United States); Walker, H.F. [Utah State Univ., Logan, UT (United States)
1996-12-31
Newton iterative methods, also known as truncated Newton methods, are implementations of Newton`s method in which the linear systems that characterize Newton steps are solved approximately using iterative linear algebra methods. Here, we outline a well-developed Newton iterative algorithm together with a Fortran implementation called NITSOL. The basic algorithm is an inexact Newton method globalized by backtracking, in which each initial trial step is determined by applying an iterative linear solver until an inexact Newton criterion is satisfied. In the implementation, the user can specify inexact Newton criteria in several ways and select an iterative linear solver from among several popular {open_quotes}transpose-free{close_quotes} Krylov subspace methods. Jacobian-vector products used by the Krylov solver can be either evaluated analytically with a user-supplied routine or approximated using finite differences of function values. A flexible interface permits a wide variety of preconditioning strategies and allows the user to define a preconditioner and optionally update it periodically. We give details of these and other features and demonstrate the performance of the implementation on a representative set of test problems.
Exploring Capabilities within ForTrilinos by Solving the 3D Burgers Equation
Directory of Open Access Journals (Sweden)
Karla Morris
2012-01-01
Full Text Available We present the first three-dimensional, partial differential equation solver to be built atop the recently released, open-source ForTrilinos package (http://trilinos.sandia.gov/packages/fortrilinos. ForTrilinos currently provides portable, object-oriented Fortran 2003 interfaces to the C++ packages Epetra, AztecOO and Pliris in the Trilinos library and framework [ACM Trans. Math. Softw.31(3 (2005, 397–423]. Epetra provides distributed matrix and vector storage and basic linear algebra calculations. Pliris provides direct solvers for dense linear systems. AztecOO provides iterative sparse linear solvers. We demonstrate how to build a parallel application that encapsulates the Message Passing Interface (MPI without requiring the user to make direct calls to MPI except for startup and shutdown. The presented example demonstrates the level of effort required to set up a high-order, finite-difference solution on a Cartesian grid. The example employs an abstract data type (ADT calculus [Sci. Program.16(4 (2008, 329–339] that empowers programmers to write serial code that lower-level abstractions resolve into distributed-memory, parallel implementations. The ADT calculus uses compilable Fortran constructs that resemble the mathematical formulation of the partial differential equation of interest.
International Nuclear Information System (INIS)
Lu Jia; Zhou Huaichun
2016-01-01
To deal with the staircase approximation problem in the standard finite-difference time-domain (FDTD) simulation, the two-dimensional boundary condition equations (BCE) method is proposed in this paper. In the BCE method, the standard FDTD algorithm can be used as usual, and the curved surface is treated by adding the boundary condition equations. Thus, while maintaining the simplicity and computational efficiency of the standard FDTD algorithm, the BCE method can solve the staircase approximation problem. The BCE method is validated by analyzing near field and far field scattering properties of the PEC and dielectric cylinders. The results show that the BCE method can maintain a second-order accuracy by eliminating the staircase approximation errors. Moreover, the results of the BCE method show good accuracy for cylinder scattering cases with different permittivities. (paper)
A comparison of viscous-plastic sea ice solvers with and without replacement pressure
Kimmritz, Madlen; Losch, Martin; Danilov, Sergey
2017-07-01
Recent developments of the explicit elastic-viscous-plastic (EVP) solvers call for a new comparison with implicit solvers for the equations of viscous-plastic sea ice dynamics. In Arctic sea ice simulations, the modified and the adaptive EVP solvers, and the implicit Jacobian-free Newton-Krylov (JFNK) solver are compared against each other. The adaptive EVP method shows convergence rates that are generally similar or even better than those of the modified EVP method, but the convergence of the EVP methods is found to depend dramatically on the use of the replacement pressure (RP). Apparently, using the RP can affect the pseudo-elastic waves in the EVP methods by introducing extra non-physical oscillations so that, in the extreme case, convergence to the VP solution can be lost altogether. The JFNK solver also suffers from higher failure rates with RP implying that with RP the momentum equations are stiffer and more difficult to solve. For practical purposes, both EVP methods can be used efficiently with an unexpectedly low number of sub-cycling steps without compromising the solutions. The differences between the RP solutions and the NoRP solutions (when the RP is not being used) can be reduced with lower thresholds of viscous regularization at the cost of increasing stiffness of the equations, and hence the computational costs of solving them.
Kou, Jisheng; Sun, Shuyu
2018-01-01
In this paper, we consider mathematical modeling and numerical simulation of non-isothermal compressible multi-component diffuse-interface two-phase flows with realistic equations of state. A general model with general reference velocity is derived rigorously through thermodynamical laws and Onsager's reciprocal principle, and it is capable of characterizing compressibility and partial miscibility between multiple fluids. We prove a novel relation among the pressure, temperature and chemical potentials, which results in a new formulation of the momentum conservation equation indicating that the gradients of chemical potentials and temperature become the primary driving force of the fluid motion except for the external forces. A key challenge in numerical simulation is to develop entropy stable numerical schemes preserving the laws of thermodynamics. Based on the convex-concave splitting of Helmholtz free energy density with respect to molar densities and temperature, we propose an entropy stable numerical method, which solves the total energy balance equation directly, and thus, naturally satisfies the first law of thermodynamics. Unconditional entropy stability (the second law of thermodynamics) of the proposed method is proved by estimating the variations of Helmholtz free energy and kinetic energy with time steps. Numerical results validate the proposed method.
Kou, Jisheng
2018-02-25
In this paper, we consider mathematical modeling and numerical simulation of non-isothermal compressible multi-component diffuse-interface two-phase flows with realistic equations of state. A general model with general reference velocity is derived rigorously through thermodynamical laws and Onsager\\'s reciprocal principle, and it is capable of characterizing compressibility and partial miscibility between multiple fluids. We prove a novel relation among the pressure, temperature and chemical potentials, which results in a new formulation of the momentum conservation equation indicating that the gradients of chemical potentials and temperature become the primary driving force of the fluid motion except for the external forces. A key challenge in numerical simulation is to develop entropy stable numerical schemes preserving the laws of thermodynamics. Based on the convex-concave splitting of Helmholtz free energy density with respect to molar densities and temperature, we propose an entropy stable numerical method, which solves the total energy balance equation directly, and thus, naturally satisfies the first law of thermodynamics. Unconditional entropy stability (the second law of thermodynamics) of the proposed method is proved by estimating the variations of Helmholtz free energy and kinetic energy with time steps. Numerical results validate the proposed method.
Newton-Krylov-BDDC solvers for nonlinear cardiac mechanics
Pavarino, L.F.; Scacchi, S.; Zampini, Stefano
2015-01-01
The aim of this work is to design and study a Balancing Domain Decomposition by Constraints (BDDC) solver for the nonlinear elasticity system modeling the mechanical deformation of cardiac tissue. The contraction–relaxation process in the myocardium is induced by the generation and spread of the bioelectrical excitation throughout the tissue and it is mathematically described by the coupling of cardiac electro-mechanical models consisting of systems of partial and ordinary differential equations. In this study, the discretization of the electro-mechanical models is performed by Q1 finite elements in space and semi-implicit finite difference schemes in time, leading to the solution of a large-scale linear system for the bioelectrical potentials and a nonlinear system for the mechanical deformation at each time step of the simulation. The parallel mechanical solver proposed in this paper consists in solving the nonlinear system with a Newton-Krylov-BDDC method, based on the parallel solution of local mechanical problems and a coarse problem for the so-called primal unknowns. Three-dimensional parallel numerical tests on different machines show that the proposed parallel solver is scalable in the number of subdomains, quasi-optimal in the ratio of subdomain to mesh sizes, and robust with respect to tissue anisotropy.
Direct solvers performance on h-adapted grids
Paszynski, Maciej; Pardo, David; Calo, Victor M.
2015-01-01
We analyse the performance of direct solvers when applied to a system of linear equations arising from an hh-adapted, C0C0 finite element space. Theoretical estimates are derived for typical hh-refinement patterns arising as a result of a point, edge, or face singularity as well as boundary layers. They are based on the elimination trees constructed specifically for the considered grids. Theoretical estimates are compared with experiments performed with MUMPS using the nested-dissection algorithm for construction of the elimination tree from METIS library. The numerical experiments provide the same performance for the cases where our trees are identical with those constructed by the nested-dissection algorithm, and worse performance for some cases where our trees are different. We also present numerical experiments for the cases with mixed singularities, where how to construct optimal elimination trees is unknown. In all analysed cases, the use of hh-adaptive grids significantly reduces the cost of the direct solver algorithm per unknown as compared to uniform grids. The theoretical estimates predict and the experimental data confirm that the computational complexity is linear for various refinement patterns. In most cases, the cost of the direct solver per unknown is lower when employing anisotropic refinements as opposed to isotropic ones.
Newton-Krylov-BDDC solvers for nonlinear cardiac mechanics
Pavarino, L.F.
2015-07-18
The aim of this work is to design and study a Balancing Domain Decomposition by Constraints (BDDC) solver for the nonlinear elasticity system modeling the mechanical deformation of cardiac tissue. The contraction–relaxation process in the myocardium is induced by the generation and spread of the bioelectrical excitation throughout the tissue and it is mathematically described by the coupling of cardiac electro-mechanical models consisting of systems of partial and ordinary differential equations. In this study, the discretization of the electro-mechanical models is performed by Q1 finite elements in space and semi-implicit finite difference schemes in time, leading to the solution of a large-scale linear system for the bioelectrical potentials and a nonlinear system for the mechanical deformation at each time step of the simulation. The parallel mechanical solver proposed in this paper consists in solving the nonlinear system with a Newton-Krylov-BDDC method, based on the parallel solution of local mechanical problems and a coarse problem for the so-called primal unknowns. Three-dimensional parallel numerical tests on different machines show that the proposed parallel solver is scalable in the number of subdomains, quasi-optimal in the ratio of subdomain to mesh sizes, and robust with respect to tissue anisotropy.
Direct solvers performance on h-adapted grids
Paszynski, Maciej
2015-05-27
We analyse the performance of direct solvers when applied to a system of linear equations arising from an hh-adapted, C0C0 finite element space. Theoretical estimates are derived for typical hh-refinement patterns arising as a result of a point, edge, or face singularity as well as boundary layers. They are based on the elimination trees constructed specifically for the considered grids. Theoretical estimates are compared with experiments performed with MUMPS using the nested-dissection algorithm for construction of the elimination tree from METIS library. The numerical experiments provide the same performance for the cases where our trees are identical with those constructed by the nested-dissection algorithm, and worse performance for some cases where our trees are different. We also present numerical experiments for the cases with mixed singularities, where how to construct optimal elimination trees is unknown. In all analysed cases, the use of hh-adaptive grids significantly reduces the cost of the direct solver algorithm per unknown as compared to uniform grids. The theoretical estimates predict and the experimental data confirm that the computational complexity is linear for various refinement patterns. In most cases, the cost of the direct solver per unknown is lower when employing anisotropic refinements as opposed to isotropic ones.
A fast direct solver for boundary value problems on locally perturbed geometries
Zhang, Yabin; Gillman, Adrianna
2018-03-01
Many applications including optimal design and adaptive discretization techniques involve solving several boundary value problems on geometries that are local perturbations of an original geometry. This manuscript presents a fast direct solver for boundary value problems that are recast as boundary integral equations. The idea is to write the discretized boundary integral equation on a new geometry as a low rank update to the discretized problem on the original geometry. Using the Sherman-Morrison formula, the inverse can be expressed in terms of the inverse of the original system applied to the low rank factors and the right hand side. Numerical results illustrate for problems where perturbation is localized the fast direct solver is three times faster than building a new solver from scratch.
Nonlinear multigrid solvers exploiting AMGe coarse spaces with approximation properties
DEFF Research Database (Denmark)
Christensen, Max la Cour; Vassilevski, Panayot S.; Villa, Umberto
2017-01-01
discretizations on general unstructured grids for a large class of nonlinear partial differential equations, including saddle point problems. The approximation properties of the coarse spaces ensure that our FAS approach for general unstructured meshes leads to optimal mesh-independent convergence rates similar...... to those achieved by geometric FAS on a nested hierarchy of refined meshes. In the numerical results, Newton’s method and Picard iterations with state-of-the-art inner linear solvers are compared to our FAS algorithm for the solution of a nonlinear saddle point problem arising from porous media flow...
Modeling Microbunching from Shot Noise Using Vlasov Solvers
International Nuclear Information System (INIS)
Venturini, Marco; Venturini, Marco; Zholents, Alexander
2008-01-01
Unlike macroparticle simulations, which are sensitive to unphysical statistical fluctuations when the number of macroparticles is smaller than the bunch population, direct methods for solving the Vlasov equation are free from sampling noise and are ideally suited for studying microbunching instabilities evolving from shot noise. We review a 2D (longitudinal dynamics) Vlasov solver we have recently developed to study the microbunching instability in the beam delivery systems for x-ray FELs and present an application to FERMI(at)Elettra. We discuss, in particular, the impact of the spreader design on microbunching
Influence of an SN solver in a fine-mesh neutronics/thermal-hydraulics framework
International Nuclear Information System (INIS)
Jareteg, Klas; Vinai, Paolo; Demaziere, Christophe; Sasic, Srdjan
2015-01-01
In this paper a study on the influence of a neutron discrete ordinates (S N ) solver within a fine-mesh neutronic/thermal-hydraulic methodology is presented. The methodology consists of coupling a neutronic solver with a single-phase fluid solver, and it is aimed at computing the two fields on a three-dimensional (3D) sub-pin level. The cross-sections needed for the neutron transport equations are pre-generated using a Monte Carlo approach. The coupling is resolved in an iterative manner with full convergence of both fields. A conservative transfer of the full 3D information is achieved, allowing for a proper coupling between the neutronic and the thermal-hydraulic meshes on the finest calculated scales. The discrete ordinates solver is benchmarked against a Monte Carlo reference solution for a two-dimensional (2D) system. The results confirm the need of a high number of ordinates, giving a satisfactory accuracy in k eff and scalar flux profile applying S 16 for 16 energy groups. The coupled framework is used to compare the S N implementation and a solver based on the neutron diffusion approximation for a full 3D system of a quarter of a symmetric, 7x7 array in an infinite lattice setup. In this case, the impact of the discrete ordinates solver shows to be significant for the coupled system, as demonstrated in the calculations of the temperature distributions. (author)
International Nuclear Information System (INIS)
Tang, K.
2012-01-01
When numerically investigating multiphase phenomena during severe accidents in a reactor system, characteristic lengths of the multi-fluid zone (non-reactive and reactive) are found to be much smaller than the volume of the reactor containment, which makes the direct modeling of the configuration hardly achievable. Alternatively, we propose to consider the physical multiphase mixture zone as an infinitely thin interface. Then, the reactive Riemann solver is inserted into the Reactive Discrete Equations Method (RDEM) to compute high speed combustion waves represented by discontinuous interfaces. An anti-diffusive approach is also coupled with RDEM to accurately simulate reactive interfaces. Increased robustness and efficiency when computing both multiphase interfaces and reacting flows are achieved thanks to an original upwind downwind-controlled splitting method (UDCS). UDCS is capable of accurately solving interfaces on multi-dimensional unstructured meshes, including reacting fronts for both deflagration and detonation configurations. (author)
ALPS - A LINEAR PROGRAM SOLVER
Viterna, L. A.
1994-01-01
Linear programming is a widely-used engineering and management tool. Scheduling, resource allocation, and production planning are all well-known applications of linear programs (LP's). Most LP's are too large to be solved by hand, so over the decades many computer codes for solving LP's have been developed. ALPS, A Linear Program Solver, is a full-featured LP analysis program. ALPS can solve plain linear programs as well as more complicated mixed integer and pure integer programs. ALPS also contains an efficient solution technique for pure binary (0-1 integer) programs. One of the many weaknesses of LP solvers is the lack of interaction with the user. ALPS is a menu-driven program with no special commands or keywords to learn. In addition, ALPS contains a full-screen editor to enter and maintain the LP formulation. These formulations can be written to and read from plain ASCII files for portability. For those less experienced in LP formulation, ALPS contains a problem "parser" which checks the formulation for errors. ALPS creates fully formatted, readable reports that can be sent to a printer or output file. ALPS is written entirely in IBM's APL2/PC product, Version 1.01. The APL2 workspace containing all the ALPS code can be run on any APL2/PC system (AT or 386). On a 32-bit system, this configuration can take advantage of all extended memory. The user can also examine and modify the ALPS code. The APL2 workspace has also been "packed" to be run on any DOS system (without APL2) as a stand-alone "EXE" file, but has limited memory capacity on a 640K system. A numeric coprocessor (80X87) is optional but recommended. The standard distribution medium for ALPS is a 5.25 inch 360K MS-DOS format diskette. IBM, IBM PC and IBM APL2 are registered trademarks of International Business Machines Corporation. MS-DOS is a registered trademark of Microsoft Corporation.
Directory of Open Access Journals (Sweden)
Jeng Hei Chow
2016-07-01
Full Text Available An implicit method of solving the six degree-of-freedom rigid body motion equations based on the second order Adams-Bashforth-Moulten method was utilised as an improvement over the leapfrog scheme by making modifications to the rigid body motion solver libraries directly. The implementation will depend on predictor-corrector steps still residing within the hybrid Pressure Implicit with Splitting of Operators - Semi-Implicit Method for Pressure Linked Equations (PIMPLE outer corrector loops to ensure strong coupling between fluid and motion. Aitken's under-relaxation is also introduced in this study to optimise the convergence rate and stability of the coupled solver. The resulting coupled solver ran on a free floating object tutorial test case when converged matches the original solver. It further allows a varying 70%–80% reduction in simulation times compared using a fixed under-relaxation to achieve the required stability.
Parallel sparse direct solvers for Poisson's equation in streamer discharges
M. Nool (Margreet); M. Genseberger (Menno); U. M. Ebert (Ute)
2017-01-01
textabstractThe aim of this paper is to examine whether a hybrid approach of parallel computing, a combination of the message passing model (MPI) with the threads model (OpenMP) can deliver good performance in streamer discharge simulations. Since one of the bottlenecks of almost all streamer
Ferencz, Donald C.; Viterna, Larry A.
1991-01-01
ALPS is a computer program which can be used to solve general linear program (optimization) problems. ALPS was designed for those who have minimal linear programming (LP) knowledge and features a menu-driven scheme to guide the user through the process of creating and solving LP formulations. Once created, the problems can be edited and stored in standard DOS ASCII files to provide portability to various word processors or even other linear programming packages. Unlike many math-oriented LP solvers, ALPS contains an LP parser that reads through the LP formulation and reports several types of errors to the user. ALPS provides a large amount of solution data which is often useful in problem solving. In addition to pure linear programs, ALPS can solve for integer, mixed integer, and binary type problems. Pure linear programs are solved with the revised simplex method. Integer or mixed integer programs are solved initially with the revised simplex, and the completed using the branch-and-bound technique. Binary programs are solved with the method of implicit enumeration. This manual describes how to use ALPS to create, edit, and solve linear programming problems. Instructions for installing ALPS on a PC compatible computer are included in the appendices along with a general introduction to linear programming. A programmers guide is also included for assistance in modifying and maintaining the program.
Effects of high-frequency damping on iterative convergence of implicit viscous solver
Nishikawa, Hiroaki; Nakashima, Yoshitaka; Watanabe, Norihiko
2017-11-01
This paper discusses effects of high-frequency damping on iterative convergence of an implicit defect-correction solver for viscous problems. The study targets a finite-volume discretization with a one parameter family of damped viscous schemes. The parameter α controls high-frequency damping: zero damping with α = 0, and larger damping for larger α (> 0). Convergence rates are predicted for a model diffusion equation by a Fourier analysis over a practical range of α. It is shown that the convergence rate attains its minimum at α = 1 on regular quadrilateral grids, and deteriorates for larger values of α. A similar behavior is observed for regular triangular grids. In both quadrilateral and triangular grids, the solver is predicted to diverge for α smaller than approximately 0.5. Numerical results are shown for the diffusion equation and the Navier-Stokes equations on regular and irregular grids. The study suggests that α = 1 and 4/3 are suitable values for robust and efficient computations, and α = 4 / 3 is recommended for the diffusion equation, which achieves higher-order accuracy on regular quadrilateral grids. Finally, a Jacobian-Free Newton-Krylov solver with the implicit solver (a low-order Jacobian approximately inverted by a multi-color Gauss-Seidel relaxation scheme) used as a variable preconditioner is recommended for practical computations, which provides robust and efficient convergence for a wide range of α.
Java Based Symbolic Circuit Solver For Electrical Engineering Curriculum
Directory of Open Access Journals (Sweden)
Ruba Akram Amarin
2012-11-01
Full Text Available The interactive technical electronic book, TechEBook, currently under development at the University of Central Florida (UCF, introduces a paradigm shift by replacing the traditional electrical engineering course with topic-driven modules that provide a useful tool for engineers and scientists. The TechEBook comprises the two worlds of classical circuit books and interactive operating platforms such as iPads, laptops and desktops. The TechEBook provides an interactive applets screen that holds many modules, each of which has a specific application in the self learning process. This paper describes one of the interactive techniques in the TechEBook known as Symbolic Circuit Solver (SymCirc. The SymCirc develops a versatile symbolic based linear circuit with a switches solver. The solver works by accepting a Netlist and the element that the user wants to find the voltage across or current on, as input parameters. Then it either produces the plot or the time domain expression of the output. Frequency domain plots or Symbolic Transfer Functions are also produced. The solver gets its input from a Web-based GUI circuit drawer developed at UCF. Typical simulation tools that electrical engineers encounter are numerical in nature, that is, when presented with an input circuit they iteratively solve the circuit across a set of small time steps. The result is represented as a data set of output versus time, which can be plotted for further inspection. Such results do not help users understand the ultimate nature of circuits as Linear Time Invariant systems with a finite dimensional basis in the solution space. SymCirc provides all simulation results as time domain expressions composed of the basic functions that exclusively include exponentials, sines, cosines and/or t raised to any power. This paper explains the motivation behind SymCirc, the Graphical User Interface front end and how the solver actually works. The paper also presents some examples and
CREATE-NL+: A robust control-oriented free boundary dynamic plasma equilibrium solver
Energy Technology Data Exchange (ETDEWEB)
Albanese, R. [Ass. EURATOM/ENEA/CREATE, Universita’ di Napoli “Federico II”, Naples (Italy); Ambrosino, R. [Ass. EURATOM/ENEA/CREATE, Universita’ di Napoli “Parthenope”, Naples (Italy); Mattei, M., E-mail: massimiliano.mattei@unina2.it [Ass. EURATOM/ENEA/CREATE, Seconda Universita’ di Napoli, Naples (Italy)
2015-10-15
CREATE-NL+ is a FEM (Finite Elements Method) solver of the free boundary dynamic plasma equilibrium problem, i.e. the MHD (Magneto Hydro Dynamics) time evolution of 2D axisymmetric plasmas in toroidal nuclear fusion devices, including eddy currents in the passive structures, and feedback control laws for current, position and shape control. This is an improved version of the CREATE-NL code developed in 2002 which was validated on JET and used for the design of the XSC (eXtreme Shape Controller), and for simulation studies on many existing and future tokamaks. A significant improvement was the use of a robust numerical scheme for the calculation of the Jacobian matrix within the Newton based scheme for the solution of the FEM nonlinear algebraic equations. The improved capability of interfacing with other codes, and a general decrease of the computational burden for the simulation of long pulses with small time steps makes this code a flexible tool for the design and testing of magnetic control in a tokamak.
CREATE-NL+: A robust control-oriented free boundary dynamic plasma equilibrium solver
International Nuclear Information System (INIS)
Albanese, R.; Ambrosino, R.; Mattei, M.
2015-01-01
CREATE-NL+ is a FEM (Finite Elements Method) solver of the free boundary dynamic plasma equilibrium problem, i.e. the MHD (Magneto Hydro Dynamics) time evolution of 2D axisymmetric plasmas in toroidal nuclear fusion devices, including eddy currents in the passive structures, and feedback control laws for current, position and shape control. This is an improved version of the CREATE-NL code developed in 2002 which was validated on JET and used for the design of the XSC (eXtreme Shape Controller), and for simulation studies on many existing and future tokamaks. A significant improvement was the use of a robust numerical scheme for the calculation of the Jacobian matrix within the Newton based scheme for the solution of the FEM nonlinear algebraic equations. The improved capability of interfacing with other codes, and a general decrease of the computational burden for the simulation of long pulses with small time steps makes this code a flexible tool for the design and testing of magnetic control in a tokamak.
A multilevel in space and energy solver for multigroup diffusion eigenvalue problems
Directory of Open Access Journals (Sweden)
Ben C. Yee
2017-09-01
Full Text Available In this paper, we present a new multilevel in space and energy diffusion (MSED method for solving multigroup diffusion eigenvalue problems. The MSED method can be described as a PI scheme with three additional features: (1 a grey (one-group diffusion equation used to efficiently converge the fission source and eigenvalue, (2 a space-dependent Wielandt shift technique used to reduce the number of PIs required, and (3 a multigrid-in-space linear solver for the linear solves required by each PI step. In MSED, the convergence of the solution of the multigroup diffusion eigenvalue problem is accelerated by performing work on lower-order equations with only one group and/or coarser spatial grids. Results from several Fourier analyses and a one-dimensional test code are provided to verify the efficiency of the MSED method and to justify the incorporation of the grey diffusion equation and the multigrid linear solver. These results highlight the potential efficiency of the MSED method as a solver for multidimensional multigroup diffusion eigenvalue problems, and they serve as a proof of principle for future work. Our ultimate goal is to implement the MSED method as an efficient solver for the two-dimensional/three-dimensional coarse mesh finite difference diffusion system in the Michigan parallel characteristics transport code. The work in this paper represents a necessary step towards that goal.
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments
International Nuclear Information System (INIS)
Fisicaro, G.; Goedecker, S.; Genovese, L.; Andreussi, O.; Marzari, N.
2016-01-01
The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equations for neutral and ionic solutions, respectively. In the present work, solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented for the solution of the generalized Poisson equation and the linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of the ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency and allow for the treatment of periodic, free, and slab boundary conditions. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments.
Fisicaro, G; Genovese, L; Andreussi, O; Marzari, N; Goedecker, S
2016-01-07
The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equations for neutral and ionic solutions, respectively. In the present work, solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented for the solution of the generalized Poisson equation and the linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of the ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency and allow for the treatment of periodic, free, and slab boundary conditions. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes.
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments
Energy Technology Data Exchange (ETDEWEB)
Fisicaro, G., E-mail: giuseppe.fisicaro@unibas.ch; Goedecker, S. [Department of Physics, University of Basel, Klingelbergstrasse 82, 4056 Basel (Switzerland); Genovese, L. [University of Grenoble Alpes, CEA, INAC-SP2M, L-Sim, F-38000 Grenoble (France); Andreussi, O. [Institute of Computational Science, Università della Svizzera Italiana, Via Giuseppe Buffi 13, CH-6904 Lugano (Switzerland); Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, Station 12, CH-1015 Lausanne (Switzerland); Marzari, N. [Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, Station 12, CH-1015 Lausanne (Switzerland)
2016-01-07
The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equations for neutral and ionic solutions, respectively. In the present work, solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented for the solution of the generalized Poisson equation and the linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of the ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency and allow for the treatment of periodic, free, and slab boundary conditions. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes.
Efficiency optimization of a fast Poisson solver in beam dynamics simulation
Zheng, Dawei; Pöplau, Gisela; van Rienen, Ursula
2016-01-01
Calculating the solution of Poisson's equation relating to space charge force is still the major time consumption in beam dynamics simulations and calls for further improvement. In this paper, we summarize a classical fast Poisson solver in beam dynamics simulations: the integrated Green's function method. We introduce three optimization steps of the classical Poisson solver routine: using the reduced integrated Green's function instead of the integrated Green's function; using the discrete cosine transform instead of discrete Fourier transform for the Green's function; using a novel fast convolution routine instead of an explicitly zero-padded convolution. The new Poisson solver routine preserves the advantages of fast computation and high accuracy. This provides a fast routine for high performance calculation of the space charge effect in accelerators.
International Nuclear Information System (INIS)
Devals, C; Zhang, Y; Dompierre, J; Guibault, F; Vu, T C; Mangani, L
2014-01-01
Nowadays, computational fluid dynamics is commonly used by design engineers to evaluate and compare losses in hydraulic components as it is less expensive and less time consuming than model tests. For that purpose, an automatic tool for casing and distributor analysis will be presented in this paper. An in-house mesh generator and a Reynolds Averaged Navier-Stokes equation solver using the standard k-ω SST turbulence model will be used to perform all computations. Two solvers based on the C++ OpenFOAM library will be used and compared to a commercial solver. The performance of the new fully coupled block solver developed by the University of Lucerne and Andritz will be compared to the standard 1.6ext segregated simpleFoam solver and to a commercial solver. In this study, relative comparisons of different geometries of casing and distributor will be performed. The present study is thus aimed at validating the block solver and the tool chain and providing design engineers with a faster and more reliable analysis tool that can be integrated into their design process
International Nuclear Information System (INIS)
Nelson, E.M.
1993-12-01
Some two-dimensional finite element electromagnetic field solvers are described and tested. For TE and TM modes in homogeneous cylindrical waveguides and monopole modes in homogeneous axisymmetric structures, the solvers find approximate solutions to a weak formulation of the wave equation. Second-order isoparametric lagrangian triangular elements represent the field. For multipole modes in axisymmetric structures, the solver finds approximate solutions to a weak form of the curl-curl formulation of Maxwell's equations. Second-order triangular edge elements represent the radial (ρ) and axial (z) components of the field, while a second-order lagrangian basis represents the azimuthal (φ) component of the field weighted by the radius ρ. A reduced set of basis functions is employed for elements touching the axis. With this basis the spurious modes of the curl-curl formulation have zero frequency, so spurious modes are easily distinguished from non-static physical modes. Tests on an annular ring, a pillbox and a sphere indicate the solutions converge rapidly as the mesh is refined. Computed eigenvalues with relative errors of less than a few parts per million are obtained. Boundary conditions for symmetric, periodic and symmetric-periodic structures are discussed and included in the field solver. Boundary conditions for structures with inversion symmetry are also discussed. Special corner elements are described and employed to improve the accuracy of cylindrical waveguide and monopole modes with singular fields at sharp corners. The field solver is applied to three problems: (1) cross-field amplifier slow-wave circuits, (2) a detuned disk-loaded waveguide linear accelerator structure and (3) a 90 degrees overmoded waveguide bend. The detuned accelerator structure is a critical application of this high accuracy field solver. To maintain low long-range wakefields, tight design and manufacturing tolerances are required
A CFD Heterogeneous Parallel Solver Based on Collaborating CPU and GPU
Lai, Jianqi; Tian, Zhengyu; Li, Hua; Pan, Sha
2018-03-01
Since Graphic Processing Unit (GPU) has a strong ability of floating-point computation and memory bandwidth for data parallelism, it has been widely used in the areas of common computing such as molecular dynamics (MD), computational fluid dynamics (CFD) and so on. The emergence of compute unified device architecture (CUDA), which reduces the complexity of compiling program, brings the great opportunities to CFD. There are three different modes for parallel solution of NS equations: parallel solver based on CPU, parallel solver based on GPU and heterogeneous parallel solver based on collaborating CPU and GPU. As we can see, GPUs are relatively rich in compute capacity but poor in memory capacity and the CPUs do the opposite. We need to make full use of the GPUs and CPUs, so a CFD heterogeneous parallel solver based on collaborating CPU and GPU has been established. Three cases are presented to analyse the solver’s computational accuracy and heterogeneous parallel efficiency. The numerical results agree well with experiment results, which demonstrate that the heterogeneous parallel solver has high computational precision. The speedup on a single GPU is more than 40 for laminar flow, it decreases for turbulent flow, but it still can reach more than 20. What’s more, the speedup increases as the grid size becomes larger.
Computational aeroelasticity using a pressure-based solver
Kamakoti, Ramji
A computational methodology for performing fluid-structure interaction computations for three-dimensional elastic wing geometries is presented. The flow solver used is based on an unsteady Reynolds-Averaged Navier-Stokes (RANS) model. A well validated k-ε turbulence model with wall function treatment for near wall region was used to perform turbulent flow calculations. Relative merits of alternative flow solvers were investigated. The predictor-corrector-based Pressure Implicit Splitting of Operators (PISO) algorithm was found to be computationally economic for unsteady flow computations. Wing structure was modeled using Bernoulli-Euler beam theory. A fully implicit time-marching scheme (using the Newmark integration method) was used to integrate the equations of motion for structure. Bilinear interpolation and linear extrapolation techniques were used to transfer necessary information between fluid and structure solvers. Geometry deformation was accounted for by using a moving boundary module. The moving grid capability was based on a master/slave concept and transfinite interpolation techniques. Since computations were performed on a moving mesh system, the geometric conservation law must be preserved. This is achieved by appropriately evaluating the Jacobian values associated with each cell. Accurate computation of contravariant velocities for unsteady flows using the momentum interpolation method on collocated, curvilinear grids was also addressed. Flutter computations were performed for the AGARD 445.6 wing at subsonic, transonic and supersonic Mach numbers. Unsteady computations were performed at various dynamic pressures to predict the flutter boundary. Results showed favorable agreement of experiment and previous numerical results. The computational methodology exhibited capabilities to predict both qualitative and quantitative features of aeroelasticity.
Kou, Jisheng
2015-03-01
In this paper, we consider multi-component dynamic two-phase interface models, which are formulated by the Cahn-Hilliard system with Peng-Robinson equation of state and various boundary conditions. These models can be derived from the minimum problems of Helmholtz free energy or grand potential in the realistic thermodynamic systems. The resulted Cahn-Hilliard systems with various boundary conditions are fully coupled and strongly nonlinear. A linear transformation is introduced to decouple the relations between different components, and as a result, the models are simplified. From this, we further propose a semi-implicit unconditionally stable time discretization scheme, which allows us to solve the Cahn-Hilliard system by a decoupled way, and thus, our method can significantly reduce the computational cost and memory requirements. The mixed finite element methods are employed for the spatial discretization, and the approximate errors are also analyzed for both space and time. Numerical examples are tested to demonstrate the efficiency of our proposed methods. © 2015 Elsevier B.V.
Using SPARK as a Solver for Modelica
Energy Technology Data Exchange (ETDEWEB)
Wetter, Michael; Wetter, Michael; Haves, Philip; Moshier, Michael A.; Sowell, Edward F.
2008-06-30
Modelica is an object-oriented acausal modeling language that is well positioned to become a de-facto standard for expressing models of complex physical systems. To simulate a model expressed in Modelica, it needs to be translated into executable code. For generating run-time efficient code, such a translation needs to employ algebraic formula manipulations. As the SPARK solver has been shown to be competitive for generating such code but currently cannot be used with the Modelica language, we report in this paper how SPARK's symbolic and numerical algorithms can be implemented in OpenModelica, an open-source implementation of a Modelica modeling and simulation environment. We also report benchmark results that show that for our air flow network simulation benchmark, the SPARK solver is competitive with Dymola, which is believed to provide the best solver for Modelica.
Cafesat: A modern sat solver for scala
Blanc Régis
2013-01-01
We present CafeSat a SAT solver written in the Scala programming language. CafeSat is a modern solver based on DPLL and featuring many state of the art techniques and heuristics. It uses two watched literals for Boolean constraint propagation conict driven learning along with clause deletion a restarting strategy and the VSIDS heuristics for choosing the branching literal. CafeSat is both sound and complete. In order to achieve reasonable performance low level and hand tuned data structures a...
Zhang, Ju; Jackson, Thomas; Balachandar, Sivaramakrishnan
2015-06-01
We will develop a computational model built upon our verified and validated in-house SDT code to provide improved description of the multiphase blast wave dynamics where solid particles are considered deformable and can even undergo phase transitions. Our SDT computational framework includes a reactive compressible flow solver with sophisticated material interface tracking capability and realistic equation of state (EOS) such as Mie-Gruneisen EOS for multiphase flow modeling. The behavior of diffuse interface models by Shukla et al. (2010) and Tiwari et al. (2013) at different shock impedance ratio will be first examined and characterized. The recent constrained interface reinitialization by Shukla (2014) will then be developed to examine if conservation property can be improved. This work was supported in part by the U.S. Department of Energy and by the Defense Threat Reduction Agency.
Quantum lattice model solver HΦ
Kawamura, Mitsuaki; Yoshimi, Kazuyoshi; Misawa, Takahiro; Yamaji, Youhei; Todo, Synge; Kawashima, Naoki
2017-08-01
HΦ [aitch-phi ] is a program package based on the Lanczos-type eigenvalue solution applicable to a broad range of quantum lattice models, i.e., arbitrary quantum lattice models with two-body interactions, including the Heisenberg model, the Kitaev model, the Hubbard model and the Kondo-lattice model. While it works well on PCs and PC-clusters, HΦ also runs efficiently on massively parallel computers, which considerably extends the tractable range of the system size. In addition, unlike most existing packages, HΦ supports finite-temperature calculations through the method of thermal pure quantum (TPQ) states. In this paper, we explain theoretical background and user-interface of HΦ. We also show the benchmark results of HΦ on supercomputers such as the K computer at RIKEN Advanced Institute for Computational Science (AICS) and SGI ICE XA (Sekirei) at the Institute for the Solid State Physics (ISSP).
Algorithms for parallel flow solvers on message passing architectures
Vanderwijngaart, Rob F.
1995-01-01
The purpose of this project has been to identify and test suitable technologies for implementation of fluid flow solvers -- possibly coupled with structures and heat equation solvers -- on MIMD parallel computers. In the course of this investigation much attention has been paid to efficient domain decomposition strategies for ADI-type algorithms. Multi-partitioning derives its efficiency from the assignment of several blocks of grid points to each processor in the parallel computer. A coarse-grain parallelism is obtained, and a near-perfect load balance results. In uni-partitioning every processor receives responsibility for exactly one block of grid points instead of several. This necessitates fine-grain pipelined program execution in order to obtain a reasonable load balance. Although fine-grain parallelism is less desirable on many systems, especially high-latency networks of workstations, uni-partition methods are still in wide use in production codes for flow problems. Consequently, it remains important to achieve good efficiency with this technique that has essentially been superseded by multi-partitioning for parallel ADI-type algorithms. Another reason for the concentration on improving the performance of pipeline methods is their applicability in other types of flow solver kernels with stronger implied data dependence. Analytical expressions can be derived for the size of the dynamic load imbalance incurred in traditional pipelines. From these it can be determined what is the optimal first-processor retardation that leads to the shortest total completion time for the pipeline process. Theoretical predictions of pipeline performance with and without optimization match experimental observations on the iPSC/860 very well. Analysis of pipeline performance also highlights the effect of uncareful grid partitioning in flow solvers that employ pipeline algorithms. If grid blocks at boundaries are not at least as large in the wall-normal direction as those
Development of a CANDU Moderator Analysis Model; Based on Coupled Solver
International Nuclear Information System (INIS)
Yoon, Churl; Park, Joo Hwan
2006-01-01
A CFD model for predicting the CANDU-6 moderator temperature has been developed for several years in KAERI, which is based on CFX-4. This analytic model(CFX4-CAMO) has some strength in the modeling of hydraulic resistance in the core region and in the treatment of heat source term in the energy equations. But the convergence difficulties and slow computing speed reveal to be the limitations of this model, because the CFX-4 code adapts a segregated solver to solve the governing equations with strong coupled-effect. Compared to CFX-4 using segregated solver, CFX-10 adapts high efficient and robust coupled-solver. Before December 2005 when CFX-10 was distributed, the previous version of CFX-10(CFX-5. series) also adapted coupled solver but didn't have any capability to apply porous media approaches correctly. In this study, the developed moderator analysis model based on CFX- 4 (CFX4-CAMO) is transformed into a new moderator analysis model based on CFX-10. The new model is examined and the results are compared to the former
A heterogeneous CPU+GPU Poisson solver for space charge calculations in beam dynamics studies
Energy Technology Data Exchange (ETDEWEB)
Zheng, Dawei; Rienen, Ursula van [University of Rostock, Institute of General Electrical Engineering (Germany)
2016-07-01
In beam dynamics studies in accelerator physics, space charge plays a central role in the low energy regime of an accelerator. Numerical space charge calculations are required, both, in the design phase and in the operation of the machines as well. Due to its efficiency, mostly the Particle-In-Cell (PIC) method is chosen for the space charge calculation. Then, the solution of Poisson's equation for the charge distribution in the rest frame is the most prominent part within the solution process. The Poisson solver directly affects the accuracy of the self-field applied on the charged particles when the equation of motion is solved in the laboratory frame. As the Poisson solver consumes the major part of the computing time in most simulations it has to be as fast as possible since it has to be carried out once per time step. In this work, we demonstrate a novel heterogeneous CPU+GPU routine for the Poisson solver. The novel solver also benefits from our new research results on the utilization of a discrete cosine transform within the classical Hockney and Eastwood's convolution routine.
Galerkin CFD solvers for use in a multi-disciplinary suite for modeling advanced flight vehicles
Moffitt, Nicholas J.
This work extends existing Galerkin CFD solvers for use in a multi-disciplinary suite. The suite is proposed as a means of modeling advanced flight vehicles, which exhibit strong coupling between aerodynamics, structural dynamics, controls, rigid body motion, propulsion, and heat transfer. Such applications include aeroelastics, aeroacoustics, stability and control, and other highly coupled applications. The suite uses NASA STARS for modeling structural dynamics and heat transfer. Aerodynamics, propulsion, and rigid body dynamics are modeled in one of the five CFD solvers below. Euler2D and Euler3D are Galerkin CFD solvers created at OSU by Cowan (2003). These solvers are capable of modeling compressible inviscid aerodynamics with modal elastics and rigid body motion. This work reorganized these solvers to improve efficiency during editing and at run time. Simple and efficient propulsion models were added, including rocket, turbojet, and scramjet engines. Viscous terms were added to the previous solvers to create NS2D and NS3D. The viscous contributions were demonstrated in the inertial and non-inertial frames. Variable viscosity (Sutherland's equation) and heat transfer boundary conditions were added to both solvers but not verified in this work. Two turbulence models were implemented in NS2D and NS3D: Spalart-Allmarus (SA) model of Deck, et al. (2002) and Menter's SST model (1994). A rotation correction term (Shur, et al., 2000) was added to the production of turbulence. Local time stepping and artificial dissipation were adapted to each model. CFDsol is a Taylor-Galerkin solver with an SA turbulence model. This work improved the time accuracy, far field stability, viscous terms, Sutherland?s equation, and SA model with NS3D as a guideline and added the propulsion models from Euler3D to CFDsol. Simple geometries were demonstrated to utilize current meshing and processing capabilities. Air-breathing hypersonic flight vehicles (AHFVs) represent the ultimate
Benchmarking optimization solvers for structural topology optimization
DEFF Research Database (Denmark)
Rojas Labanda, Susana; Stolpe, Mathias
2015-01-01
solvers in IPOPT and FMINCON, and the sequential quadratic programming method in SNOPT, are benchmarked on the library using performance profiles. Whenever possible the methods are applied to both the nested and the Simultaneous Analysis and Design (SAND) formulations of the problem. The performance...
DEFF Research Database (Denmark)
Bjørner, Nikolaj; Dung, Phan Anh; Fleckenstein, Lars
2015-01-01
vZ is a part of the SMT solver Z3. It allows users to pose and solve optimization problems modulo theories. Many SMT applications use models to provide satisfying assignments, and a growing number of these build on top of Z3 to get optimal assignments with respect to objective functions. vZ provi...
A General Symbolic PDE Solver Generator: Beyond Explicit Schemes
Directory of Open Access Journals (Sweden)
K. Sheshadri
2003-01-01
Full Text Available This paper presents an extension of our Mathematica- and MathCode-based symbolic-numeric framework for solving a variety of partial differential equation (PDE problems. The main features of our earlier work, which implemented explicit finite-difference schemes, include the ability to handle (1 arbitrary number of dependent variables, (2 arbitrary dimensionality, and (3 arbitrary geometry, as well as (4 developing finite-difference schemes to any desired order of approximation. In the present paper, extensions of this framework to implicit schemes and the method of lines are discussed. While C++ code is generated, using the MathCode system for the implicit method, Modelica code is generated for the method of lines. The latter provides a preliminary PDE support for the Modelica language. Examples illustrating the various aspects of the solver generator are presented.
Extending the Finite Domain Solver of GNU Prolog
Bloemen, Vincent; Diaz, Daniel; van der Bijl, Machiel; Abreu, Salvador; Ströder, Thomas; Swift, Terrance
This paper describes three significant extensions for the Finite Domain solver of GNU Prolog. First, the solver now supports negative integers. Second, the solver detects and prevents integer overflows from occurring. Third, the internal representation of sparse domains has been redesigned to
Pathak, Ashish; Raessi, Mehdi
2016-04-01
We present a three-dimensional (3D) and fully Eulerian approach to capturing the interaction between two fluids and moving rigid structures by using the fictitious domain and volume-of-fluid (VOF) methods. The solid bodies can have arbitrarily complex geometry and can pierce the fluid-fluid interface, forming contact lines. The three-phase interfaces are resolved and reconstructed by using a VOF-based methodology. Then, a consistent scheme is employed for transporting mass and momentum, allowing for simulations of three-phase flows of large density ratios. The Eulerian approach significantly simplifies numerical resolution of the kinematics of rigid bodies of complex geometry and with six degrees of freedom. The fluid-structure interaction (FSI) is computed using the fictitious domain method. The methodology was developed in a message passing interface (MPI) parallel framework accelerated with graphics processing units (GPUs). The computationally intensive solution of the pressure Poisson equation is ported to GPUs, while the remaining calculations are performed on CPUs. The performance and accuracy of the methodology are assessed using an array of test cases, focusing individually on the flow solver and the FSI in surface-piercing configurations. Finally, an application of the proposed methodology in simulations of the ocean wave energy converters is presented.
International Nuclear Information System (INIS)
Fiorina, Carlo; Hursin, Mathieu; Pautz, Andreas
2017-01-01
Highlights: • Development and verification of an SP 3 solver based on OpenFOAM. • Integration into the GeN-Foam multi-physics platform. • Application of the new GeN-Foam SP 3 solver to the CROCUS reactor. - Abstract: The Laboratory for Reactor Physics and Systems Behaviour at the PSI and at the EPFL has been developing since 2013 a multi-physics platform for coupled reactor analysis named GeN-Foam. The developed tool includes a solver for the eigenvalue and transient solution of multi-group neutron diffusion equations. Although frequently used in reactor analysis, the diffusion theory shows some limitations for core configurations involving strong anisotropies, which is the case for the CROCUS research reactor at the EPFL. The use of an SP 3 approximation to neutron transport can often lead to visible improvements in a code predictive capabilities, especially for one-directional anisotropies, with acceptable added computational cost vs diffusion. Following some modelling issues for the CROCUS reactor, and in order to improve the GeN-Foam modelling capabilities, the GeN-Foam diffusion solver has been extended to allow for SP 3 analyses. The present paper describes such extension and a preliminary verification using a mini-core PWR benchmark. The newly developed solver is then applied to the analysis of the CROCUS experimental reactor and results are compared to Monte Carlo calculations, as well as to the results of the diffusion solver.
A generalized Poisson solver for first-principles device simulations
Energy Technology Data Exchange (ETDEWEB)
Bani-Hashemian, Mohammad Hossein; VandeVondele, Joost, E-mail: joost.vandevondele@mat.ethz.ch [Nanoscale Simulations, ETH Zürich, 8093 Zürich (Switzerland); Brück, Sascha; Luisier, Mathieu [Integrated Systems Laboratory, ETH Zürich, 8092 Zürich (Switzerland)
2016-01-28
Electronic structure calculations of atomistic systems based on density functional theory involve solving the Poisson equation. In this paper, we present a plane-wave based algorithm for solving the generalized Poisson equation subject to periodic or homogeneous Neumann conditions on the boundaries of the simulation cell and Dirichlet type conditions imposed at arbitrary subdomains. In this way, source, drain, and gate voltages can be imposed across atomistic models of electronic devices. Dirichlet conditions are enforced as constraints in a variational framework giving rise to a saddle point problem. The resulting system of equations is then solved using a stationary iterative method in which the generalized Poisson operator is preconditioned with the standard Laplace operator. The solver can make use of any sufficiently smooth function modelling the dielectric constant, including density dependent dielectric continuum models. For all the boundary conditions, consistent derivatives are available and molecular dynamics simulations can be performed. The convergence behaviour of the scheme is investigated and its capabilities are demonstrated.
A systematic literature review of Burgers' equation with recent ...
Indian Academy of Sciences (India)
Mayur P Bonkile
2018-04-30
Apr 30, 2018 ... are prescribed functions of variables depending upon the specific conditions for ...... A semi-implicit finite-difference method was used to find the numerical ... ordinary differential equation solver to classical explicit and implicit ...
Multiscale molecular dynamics using the matched interface and boundary method
International Nuclear Information System (INIS)
Geng Weihua; Wei, G.W.
2011-01-01
The Poisson-Boltzmann (PB) equation is an established multiscale model for electrostatic analysis of biomolecules and other dielectric systems. PB based molecular dynamics (MD) approach has a potential to tackle large biological systems. Obstacles that hinder the current development of PB based MD methods are concerns in accuracy, stability, efficiency and reliability. The presence of complex solvent-solute interface, geometric singularities and charge singularities leads to challenges in the numerical solution of the PB equation and electrostatic force evaluation in PB based MD methods. Recently, the matched interface and boundary (MIB) method has been utilized to develop the first second order accurate PB solver that is numerically stable in dealing with discontinuous dielectric coefficients, complex geometric singularities and singular source charges. The present work develops the PB based MD approach using the MIB method. New formulation of electrostatic forces is derived to allow the use of sharp molecular surfaces. Accurate reaction field forces are obtained by directly differentiating the electrostatic potential. Dielectric boundary forces are evaluated at the solvent-solute interface using an accurate Cartesian-grid surface integration method. The electrostatic forces located at reentrant surfaces are appropriately assigned to related atoms. Extensive numerical tests are carried out to validate the accuracy and stability of the present electrostatic force calculation. The new PB based MD method is implemented in conjunction with the AMBER package. MIB based MD simulations of biomolecules are demonstrated via a few example systems.
Fostering Creative Problem Solvers in Higher Education
DEFF Research Database (Denmark)
Zhou, Chunfang
2016-01-01
to meet such challenges. This chapter aims to illustrate how to understand: 1) complexity as the nature of professional practice; 2) creative problem solving as the core skill in professional practice; 3) creativity as interplay between persons and their environment; 4) higher education as the context......Recent studies have emphasized issues of social emergence based on thinking of societies as complex systems. The complexity of professional practice has been recognized as the root of challenges for higher education. To foster creative problem solvers is a key response of higher education in order...... of fostering creative problem solvers; and 5) some innovative strategies such as Problem-Based Learning (PBL) and building a learning environment by Information Communication Technology (ICT) as potential strategies of creativity development. Accordingly, this chapter contributes to bridge the complexity...
Mathematical programming solver based on local search
Gardi, Frédéric; Darlay, Julien; Estellon, Bertrand; Megel, Romain
2014-01-01
This book covers local search for combinatorial optimization and its extension to mixed-variable optimization. Although not yet understood from the theoretical point of view, local search is the paradigm of choice for tackling large-scale real-life optimization problems. Today's end-users demand interactivity with decision support systems. For optimization software, this means obtaining good-quality solutions quickly. Fast iterative improvement methods, like local search, are suited to satisfying such needs. Here the authors show local search in a new light, in particular presenting a new kind of mathematical programming solver, namely LocalSolver, based on neighborhood search. First, an iconoclast methodology is presented to design and engineer local search algorithms. The authors' concern about industrializing local search approaches is of particular interest for practitioners. This methodology is applied to solve two industrial problems with high economic stakes. Software based on local search induces ex...
Aleph Field Solver Challenge Problem Results Summary
Energy Technology Data Exchange (ETDEWEB)
Hooper, Russell [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Moore, Stan Gerald [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2015-01-01
Aleph models continuum electrostatic and steady and transient thermal fields using a finite-element method. Much work has gone into expanding the core solver capability to support enriched modeling consisting of multiple interacting fields, special boundary conditions and two-way interfacial coupling with particles modeled using Aleph's complementary particle-in-cell capability. This report provides quantitative evidence for correct implementation of Aleph's field solver via order- of-convergence assessments on a collection of problems of increasing complexity. It is intended to provide Aleph with a pedigree and to establish a basis for confidence in results for more challenging problems important to Sandia's mission that Aleph was specifically designed to address.
A GPU-based incompressible Navier-Stokes solver on moving overset grids
Chandar, Dominic D. J.; Sitaraman, Jayanarayanan; Mavriplis, Dimitri J.
2013-07-01
In pursuit of obtaining high fidelity solutions to the fluid flow equations in a short span of time, graphics processing units (GPUs) which were originally intended for gaming applications are currently being used to accelerate computational fluid dynamics (CFD) codes. With a high peak throughput of about 1 TFLOPS on a PC, GPUs seem to be favourable for many high-resolution computations. One such computation that involves a lot of number crunching is computing time accurate flow solutions past moving bodies. The aim of the present paper is thus to discuss the development of a flow solver on unstructured and overset grids and its implementation on GPUs. In its present form, the flow solver solves the incompressible fluid flow equations on unstructured/hybrid/overset grids using a fully implicit projection method. The resulting discretised equations are solved using a matrix-free Krylov solver using several GPU kernels such as gradient, Laplacian and reduction. Some of the simple arithmetic vector calculations are implemented using the CU++: An Object Oriented Framework for Computational Fluid Dynamics Applications using Graphics Processing Units, Journal of Supercomputing, 2013, doi:10.1007/s11227-013-0985-9 approach where GPU kernels are automatically generated at compile time. Results are presented for two- and three-dimensional computations on static and moving grids.
Evolving effective incremental SAT solvers with GP
Bader, Mohamed; Poli, R.
2008-01-01
Hyper-Heuristics could simply be defined as heuristics to choose other heuristics, and it is a way of combining existing heuristics to generate new ones. In a Hyper-Heuristic framework, the framework is used for evolving effective incremental (Inc*) solvers for SAT. We test the evolved heuristics (IncHH) against other known local search heuristics on a variety of benchmark SAT problems.
DEFF Research Database (Denmark)
Svec, Oldrich; Skoček, Jan
2013-01-01
The ability of the Lattice Boltzmann method, as the fluid dynamics solver, to properly simulate macroscopic Navier’s slip boundary condition is investigated. An approximate equation relating the Lattice Boltzmann variable slip boundary condition with the macroscopic Navier’s slip boundary condition...
Domain decomposition methods for core calculations using the MINOS solver
International Nuclear Information System (INIS)
Guerin, P.; Baudron, A. M.; Lautard, J. J.
2007-01-01
Cell by cell homogenized transport calculations of an entire nuclear reactor core are currently too expensive for industrial applications, even if a simplified transport (SPn) approximation is used. In order to take advantage of parallel computers, we propose here two domain decomposition methods using the mixed dual finite element solver MINOS. The first one is a modal synthesis method on overlapping sub-domains: several Eigenmodes solutions of a local problem on each sub-domain are taken as basis functions used for the resolution of the global problem on the whole domain. The second one is an iterative method based on non-overlapping domain decomposition with Robin interface conditions. At each iteration, we solve the problem on each sub-domain with the interface conditions given by the solutions on the close sub-domains estimated at the previous iteration. For these two methods, we give numerical results which demonstrate their accuracy and their efficiency for the diffusion model on realistic 2D and 3D cores. (authors)
A Comparison of Monte Carlo and Deterministic Solvers for keff and Sensitivity Calculations
Energy Technology Data Exchange (ETDEWEB)
Haeck, Wim [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Parsons, Donald Kent [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); White, Morgan Curtis [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Saller, Thomas [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Favorite, Jeffrey A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2017-12-12
Verification and validation of our solutions for calculating the neutron reactivity for nuclear materials is a key issue to address for many applications, including criticality safety, research reactors, power reactors, and nuclear security. Neutronics codes solve variations of the Boltzmann transport equation. The two main variants are Monte Carlo versus deterministic solutions, e.g. the MCNP [1] versus PARTISN [2] codes, respectively. There have been many studies over the decades that examined the accuracy of such solvers and the general conclusion is that when the problems are well-posed, either solver can produce accurate results. However, the devil is always in the details. The current study examines the issue of self-shielding and the stress it puts on deterministic solvers. Most Monte Carlo neutronics codes use continuous-energy descriptions of the neutron interaction data that are not subject to this effect. The issue of self-shielding occurs because of the discretisation of data used by the deterministic solutions. Multigroup data used in these solvers are the average cross section and scattering parameters over an energy range. Resonances in cross sections can occur that change the likelihood of interaction by one to three orders of magnitude over a small energy range. Self-shielding is the numerical effect that the average cross section in groups with strong resonances can be strongly affected as neutrons within that material are preferentially absorbed or scattered out of the resonance energies. This affects both the average cross section and the scattering matrix.
Seo, Jongmin; Schiavazzi, Daniele; Marsden, Alison
2017-11-01
Cardiovascular simulations are increasingly used in clinical decision making, surgical planning, and disease diagnostics. Patient-specific modeling and simulation typically proceeds through a pipeline from anatomic model construction using medical image data to blood flow simulation and analysis. To provide confidence intervals on simulation predictions, we use an uncertainty quantification (UQ) framework to analyze the effects of numerous uncertainties that stem from clinical data acquisition, modeling, material properties, and boundary condition selection. However, UQ poses a computational challenge requiring multiple evaluations of the Navier-Stokes equations in complex 3-D models. To achieve efficiency in UQ problems with many function evaluations, we implement and compare a range of iterative linear solver and preconditioning techniques in our flow solver. We then discuss applications to patient-specific cardiovascular simulation and how the problem/boundary condition formulation in the solver affects the selection of the most efficient linear solver. Finally, we discuss performance improvements in the context of uncertainty propagation. Support from National Institute of Health (R01 EB018302) is greatly appreciated.
Scalable domain decomposition solvers for stochastic PDEs in high performance computing
International Nuclear Information System (INIS)
Desai, Ajit; Pettit, Chris; Poirel, Dominique; Sarkar, Abhijit
2017-01-01
Stochastic spectral finite element models of practical engineering systems may involve solutions of linear systems or linearized systems for non-linear problems with billions of unknowns. For stochastic modeling, it is therefore essential to design robust, parallel and scalable algorithms that can efficiently utilize high-performance computing to tackle such large-scale systems. Domain decomposition based iterative solvers can handle such systems. And though these algorithms exhibit excellent scalabilities, significant algorithmic and implementational challenges exist to extend them to solve extreme-scale stochastic systems using emerging computing platforms. Intrusive polynomial chaos expansion based domain decomposition algorithms are extended here to concurrently handle high resolution in both spatial and stochastic domains using an in-house implementation. Sparse iterative solvers with efficient preconditioners are employed to solve the resulting global and subdomain level local systems through multi-level iterative solvers. We also use parallel sparse matrix–vector operations to reduce the floating-point operations and memory requirements. Numerical and parallel scalabilities of these algorithms are presented for the diffusion equation having spatially varying diffusion coefficient modeled by a non-Gaussian stochastic process. Scalability of the solvers with respect to the number of random variables is also investigated.
Ge, Liang; Sotiropoulos, Fotis
2007-08-01
A novel numerical method is developed that integrates boundary-conforming grids with a sharp interface, immersed boundary methodology. The method is intended for simulating internal flows containing complex, moving immersed boundaries such as those encountered in several cardiovascular applications. The background domain (e.g. the empty aorta) is discretized efficiently with a curvilinear boundary-fitted mesh while the complex moving immersed boundary (say a prosthetic heart valve) is treated with the sharp-interface, hybrid Cartesian/immersed-boundary approach of Gilmanov and Sotiropoulos [A. Gilmanov, F. Sotiropoulos, A hybrid cartesian/immersed boundary method for simulating flows with 3d, geometrically complex, moving bodies, Journal of Computational Physics 207 (2005) 457-492.]. To facilitate the implementation of this novel modeling paradigm in complex flow simulations, an accurate and efficient numerical method is developed for solving the unsteady, incompressible Navier-Stokes equations in generalized curvilinear coordinates. The method employs a novel, fully-curvilinear staggered grid discretization approach, which does not require either the explicit evaluation of the Christoffel symbols or the discretization of all three momentum equations at cell interfaces as done in previous formulations. The equations are integrated in time using an efficient, second-order accurate fractional step methodology coupled with a Jacobian-free, Newton-Krylov solver for the momentum equations and a GMRES solver enhanced with multigrid as preconditioner for the Poisson equation. Several numerical experiments are carried out on fine computational meshes to demonstrate the accuracy and efficiency of the proposed method for standard benchmark problems as well as for unsteady, pulsatile flow through a curved, pipe bend. To demonstrate the ability of the method to simulate flows with complex, moving immersed boundaries we apply it to calculate pulsatile, physiological flow
International Nuclear Information System (INIS)
Li Jiequan; Li Qibing; Xu Kun
2011-01-01
The generalized Riemann problem (GRP) scheme for the Euler equations and gas-kinetic scheme (GKS) for the Boltzmann equation are two high resolution shock capturing schemes for fluid simulations. The difference is that one is based on the characteristics of the inviscid Euler equations and their wave interactions, and the other is based on the particle transport and collisions. The similarity between them is that both methods can use identical MUSCL-type initial reconstructions around a cell interface, and the spatial slopes on both sides of a cell interface involve in the gas evolution process and the construction of a time-dependent flux function. Although both methods have been applied successfully to the inviscid compressible flow computations, their performances have never been compared. Since both methods use the same initial reconstruction, any difference is solely coming from different underlying mechanism in their flux evaluation. Therefore, such a comparison is important to help us to understand the correspondence between physical modeling and numerical performances. Since GRP is so faithfully solving the inviscid Euler equations, the comparison can be also used to show the validity of solving the Euler equations itself. The numerical comparison shows that the GRP exhibits a slightly better computational efficiency, and has comparable accuracy with GKS for the Euler solutions in 1D case, but the GKS is more robust than GRP. For the 2D high Mach number flow simulations, the GKS is absent from the shock instability and converges to the steady state solutions faster than the GRP. The GRP has carbuncle phenomena, likes a cloud hanging over exact Riemann solvers. The GRP and GKS use different physical processes to describe the flow motion starting from a discontinuity. One is based on the assumption of equilibrium state with infinite number of particle collisions, and the other starts from the non-equilibrium free transport process to evolve into an
Incompressible SPH (ISPH) with fast Poisson solver on a GPU
Chow, Alex D.; Rogers, Benedict D.; Lind, Steven J.; Stansby, Peter K.
2018-05-01
This paper presents a fast incompressible SPH (ISPH) solver implemented to run entirely on a graphics processing unit (GPU) capable of simulating several millions of particles in three dimensions on a single GPU. The ISPH algorithm is implemented by converting the highly optimised open-source weakly-compressible SPH (WCSPH) code DualSPHysics to run ISPH on the GPU, combining it with the open-source linear algebra library ViennaCL for fast solutions of the pressure Poisson equation (PPE). Several challenges are addressed with this research: constructing a PPE matrix every timestep on the GPU for moving particles, optimising the limited GPU memory, and exploiting fast matrix solvers. The ISPH pressure projection algorithm is implemented as 4 separate stages, each with a particle sweep, including an algorithm for the population of the PPE matrix suitable for the GPU, and mixed precision storage methods. An accurate and robust ISPH boundary condition ideal for parallel processing is also established by adapting an existing WCSPH boundary condition for ISPH. A variety of validation cases are presented: an impulsively started plate, incompressible flow around a moving square in a box, and dambreaks (2-D and 3-D) which demonstrate the accuracy, flexibility, and speed of the methodology. Fragmentation of the free surface is shown to influence the performance of matrix preconditioners and therefore the PPE matrix solution time. The Jacobi preconditioner demonstrates robustness and reliability in the presence of fragmented flows. For a dambreak simulation, GPU speed ups demonstrate up to 10-18 times and 1.1-4.5 times compared to single-threaded and 16-threaded CPU run times respectively.
An h-adaptive finite element solver for the calculations of the electronic structures
International Nuclear Information System (INIS)
Bao Gang; Hu Guanghui; Liu Di
2012-01-01
In this paper, a framework of using h-adaptive finite element method for the Kohn–Sham equation on the tetrahedron mesh is presented. The Kohn–Sham equation is discretized by the finite element method, and the h-adaptive technique is adopted to optimize the accuracy and the efficiency of the algorithm. The locally optimal block preconditioned conjugate gradient method is employed for solving the generalized eigenvalue problem, and an algebraic multigrid preconditioner is used to accelerate the solver. A variety of numerical experiments demonstrate the effectiveness of our algorithm for both the all-electron and the pseudo-potential calculations.
Interface model coupling in fluid dynamics: application to two-phase flows
International Nuclear Information System (INIS)
Galie, Th.
2009-03-01
This thesis is devoted to the study of interface model coupling problems in space between different models of compressible flows. We consider one-dimensional problems where the interface is sharp, fixed and separating two regions of space corresponding to the two coupled models. Our goal is to define a coupling condition at the interface and to solve numerically the coupling problem with this condition. After a state of art on the interface model coupling of hyperbolic systems of conservation laws, we propose a new coupling condition by adding in the equations of the coupled problem a measure source term at the interface. We first suppose a given constant weight associated to this source term. Two Riemann solvers are developed and one of them is based on a relaxation approach preserving equilibrium solutions of the coupled problem. This relaxation method is then used in an optimization problem, defined by several motivations at the interface, which permits to calculate a time dynamical weight. In a second part, we develop an approached Riemann solver for a two-phase two-pressure model in the particular case of a two-phase isentropic flow. Such a model contains non conservative terms that we write under the form of measure source terms. The previous relaxation method is thus extended to the case of the two-phase two-pressure model with an a priori estimation of the non conservative term contributions. The method allows us to solve, in the next and last chapter, the coupling problem of a two-fluid two-pressure model with a drift-flux model thanks to the father model approach. (authors)
Marques, Alexandre; Nave, Jean-Christophe; Rosales, Ruben
2011-11-01
The Poisson equation is of central importance in the description of fluid flows and other physical phenomena. In prior work, Marques, Nave, and Rosales introduced the Correction Function Method (CFM) to obtain fourth-order accurate solutions for the constant coefficient Poisson problem with prescribed jump conditions for the solution and its normal derivative across arbitrary interfaces. Here we combine this method with the ideas introduced by Mayo to solve other Poisson problems involving complex geometries. In summary, we are able to rewrite the problem as a boundary integral equation in terms of a potential distribution over the boundary or interface. The solution of this integral equation is discontinuous across the boundary or interface. Hence, after this integral equation is solved using standard techniques, the potential distribution can be used to determine the jump discontinuities. We are then able to use the CFM to solve the resulting Poisson equation with jump discontinuities. The outcome is a fourth-order accurate scheme to solve general Poisson problems which, over arbitrary geometries, has a cost that is approximately twice that of a fast Poisson solver using FFT on a rectangular geometry of the same size. Details of the method and applications will be presented.
Control of error and convergence in ODE solvers
International Nuclear Information System (INIS)
Gustafsson, K.
1992-03-01
Feedback is a general principle that can be used in many different contexts. In this thesis it is applied to numerical integration of ordinary differential equations. An advanced integration method includes parameters and variables that should be adjusted during the execution. In addition, the integration method should be able to automatically handle situations such as: initialization, restart after failures, etc. In this thesis we regard the algorithms for parameter adjustment and supervision as a controller. The controlled measures different variable that tell the current status of the integration, and based on this information it decides how to continue. The design of the controller is vital in order to accurately and efficiently solve a large class of ordinary differential equations. The application of feedback control may appear farfetched, but numerical integration methods are in fact dynamical systems. This is often overlooked in traditional numerical analysis. We derive dynamic models that describe the behavior of the integration method as well as the standard control algorithms in use today. Using these models it is possible to analyze properties of current algorithms, and also explain some generally observed misbehaviors. Further, we use the acquired insight to derive new and improved control algorithms, both for explicit and implicit Runge-Kutta methods. In the explicit case, the new controller gives good overall performance. In particular it overcomes the problem with oscillating stepsize sequence that is often experienced when the stepsize is restricted by numerical stability. The controller for implicit methods is designed so that it tracks changes in the differential equation better than current algorithms. In addition, it includes a new strategy for the equation solver, which allows the stepsize to vary more freely. This leads to smoother error control without excessive operations on the iteration matrix. (87 refs.) (au)
Boku, Taisuke; Ishikawa, Ken-Ichi; Kuramashi, Yoshinobu; Meadows, Lawrence
2017-01-01
Lattice Quantum Chromodynamics (Lattice QCD) is a quantum field theory on a finite discretized space-time box so as to numerically compute the dynamics of quarks and gluons to explore the nature of subatomic world. Solving the equation of motion of quarks (quark solver) is the most compute-intensive part of the lattice QCD simulations and is one of the legacy HPC applications. We have developed a mixed-precision quark solver for a large Intel Xeon Phi (KNL) system named "Oakforest-PACS", empl...
Parallelization of elliptic solver for solving 1D Boussinesq model
Tarwidi, D.; Adytia, D.
2018-03-01
In this paper, a parallel implementation of an elliptic solver in solving 1D Boussinesq model is presented. Numerical solution of Boussinesq model is obtained by implementing a staggered grid scheme to continuity, momentum, and elliptic equation of Boussinesq model. Tridiagonal system emerging from numerical scheme of elliptic equation is solved by cyclic reduction algorithm. The parallel implementation of cyclic reduction is executed on multicore processors with shared memory architectures using OpenMP. To measure the performance of parallel program, large number of grids is varied from 28 to 214. Two test cases of numerical experiment, i.e. propagation of solitary and standing wave, are proposed to evaluate the parallel program. The numerical results are verified with analytical solution of solitary and standing wave. The best speedup of solitary and standing wave test cases is about 2.07 with 214 of grids and 1.86 with 213 of grids, respectively, which are executed by using 8 threads. Moreover, the best efficiency of parallel program is 76.2% and 73.5% for solitary and standing wave test cases, respectively.
DEFF Research Database (Denmark)
Comminal, Raphaël; Spangenberg, Jon; Hattel, Jesper Henri
Accurate multi-phase flow solvers at low Reynolds number are of particular interest for the simulation of interface instabilities in the co-processing of multilayered material. We present a two-phase flow solver for incompressible viscous fluids which uses the streamfunction as the primary variable...... of the flow. Contrary to fractional step methods, the streamfunction formulation eliminates the pressure unknowns, and automatically fulfills the incompressibility constraint by construction. As a result, the method circumvents the loss of temporal accuracy at low Reynolds numbers. The interface is tracked...
DEFF Research Database (Denmark)
Comminal, Raphaël; Spangenberg, Jon; Hattel, Jesper Henri
2014-01-01
Accurate multi-phase flow solvers at low Reynolds number are of particular interest for the simulation of interface instabilities in the co-processing of multilayered material. We present a two-phase flow solver for incompressible viscous fluids which uses the streamfunction as the primary variable...... of the flow. Contrary to fractional step methods, the streamfunction formulation eliminates the pressure unknowns, and automatically fulfills the incompressibility constraint by construction. As a result, the method circumvents the loss of temporal accuracy at low Reynolds numbers. The interface is tracked...
Zubair, Mohammad; Nielsen, Eric; Luitjens, Justin; Hammond, Dana
2016-01-01
In the field of computational fluid dynamics, the Navier-Stokes equations are often solved using an unstructuredgrid approach to accommodate geometric complexity. Implicit solution methodologies for such spatial discretizations generally require frequent solution of large tightly-coupled systems of block-sparse linear equations. The multicolor point-implicit solver used in the current work typically requires a significant fraction of the overall application run time. In this work, an efficient implementation of the solver for graphics processing units is proposed. Several factors present unique challenges to achieving an efficient implementation in this environment. These include the variable amount of parallelism available in different kernel calls, indirect memory access patterns, low arithmetic intensity, and the requirement to support variable block sizes. In this work, the solver is reformulated to use standard sparse and dense Basic Linear Algebra Subprograms (BLAS) functions. However, numerical experiments show that the performance of the BLAS functions available in existing CUDA libraries is suboptimal for matrices representative of those encountered in actual simulations. Instead, optimized versions of these functions are developed. Depending on block size, the new implementations show performance gains of up to 7x over the existing CUDA library functions.
Robust Multiscale Iterative Solvers for Nonlinear Flows in Highly Heterogeneous Media
Efendiev, Y.
2012-08-01
In this paper, we study robust iterative solvers for finite element systems resulting in approximation of steady-state Richards\\' equation in porous media with highly heterogeneous conductivity fields. It is known that in such cases the contrast, ratio between the highest and lowest values of the conductivity, can adversely affect the performance of the preconditioners and, consequently, a design of robust preconditioners is important for many practical applications. The proposed iterative solvers consist of two kinds of iterations, outer and inner iterations. Outer iterations are designed to handle nonlinearities by linearizing the equation around the previous solution state. As a result of the linearization, a large-scale linear system needs to be solved. This linear system is solved iteratively (called inner iterations), and since it can have large variations in the coefficients, a robust preconditioner is needed. First, we show that under some assumptions the number of outer iterations is independent of the contrast. Second, based on the recently developed iterative methods, we construct a class of preconditioners that yields convergence rate that is independent of the contrast. Thus, the proposed iterative solvers are optimal with respect to the large variation in the physical parameters. Since the same preconditioner can be reused in every outer iteration, this provides an additional computational savings in the overall solution process. Numerical tests are presented to confirm the theoretical results. © 2012 Global-Science Press.
The Openpipeflow Navier–Stokes solver
Directory of Open Access Journals (Sweden)
Ashley P. Willis
2017-01-01
Full Text Available Pipelines are used in a huge range of industrial processes involving fluids, and the ability to accurately predict properties of the flow through a pipe is of fundamental engineering importance. Armed with parallel MPI, Arnoldi and Newton–Krylov solvers, the Openpipeflow code can be used in a range of settings, from large-scale simulation of highly turbulent flow, to the detailed analysis of nonlinear invariant solutions (equilibria and periodic orbits and their influence on the dynamics of the flow.
New multigrid solver advances in TOPS
International Nuclear Information System (INIS)
Falgout, R D; Brannick, J; Brezina, M; Manteuffel, T; McCormick, S
2005-01-01
In this paper, we highlight new multigrid solver advances in the Terascale Optimal PDE Simulations (TOPS) project in the Scientific Discovery Through Advanced Computing (SciDAC) program. We discuss two new algebraic multigrid (AMG) developments in TOPS: the adaptive smoothed aggregation method (αSA) and a coarse-grid selection algorithm based on compatible relaxation (CR). The αSA method is showing promising results in initial studies for Quantum Chromodynamics (QCD) applications. The CR method has the potential to greatly improve the applicability of AMG
Metaheuristics progress as real problem solvers
Nonobe, Koji; Yagiura, Mutsunori
2005-01-01
Metaheuristics: Progress as Real Problem Solvers is a peer-reviewed volume of eighteen current, cutting-edge papers by leading researchers in the field. Included are an invited paper by F. Glover and G. Kochenberger, which discusses the concept of Metaheuristic agent processes, and a tutorial paper by M.G.C. Resende and C.C. Ribeiro discussing GRASP with path-relinking. Other papers discuss problem-solving approaches to timetabling, automated planograms, elevators, space allocation, shift design, cutting stock, flexible shop scheduling, colorectal cancer and cartography. A final group of methodology papers clarify various aspects of Metaheuristics from the computational view point.
A finite different field solver for dipole modes
International Nuclear Information System (INIS)
Nelson, E.M.
1992-08-01
A finite element field solver for dipole modes in axisymmetric structures has been written. The second-order elements used in this formulation yield accurate mode frequencies with no spurious modes. Quasi-periodic boundaries are included to allow travelling waves in periodic structures. The solver is useful in applications requiring precise frequency calculations such as detuned accelerator structures for linear colliders. Comparisons are made with measurements and with the popular but less accurate field solver URMEL
A finite element field solver for dipole modes
International Nuclear Information System (INIS)
Nelson, E.M.
1992-01-01
A finite element field solver for dipole modes in axisymmetric structures has been written. The second-order elements used in this formulation yield accurate mode frequencies with no spurious modes. Quasi-periodic boundaries are included to allow travelling waves in periodic structures. The solver is useful in applications requiring precise frequency calculations such as detuned accelerator structures for linear colliders. Comparisons are made with measurements and with the popular but less accurate field solver URMEL. (author). 7 refs., 4 figs
Botti, Lorenzo; Paliwal, Nikhil; Conti, Pierangelo; Antiga, Luca; Meng, Hui
2018-06-01
Image-based computational fluid dynamics (CFD) has shown potential to aid in the clinical management of intracranial aneurysms (IAs) but its adoption in the clinical practice has been missing, partially due to lack of accuracy assessment and sensitivity analysis. To numerically solve the flow-governing equations CFD solvers generally rely on two spatial discretization schemes: Finite Volume (FV) and Finite Element (FE). Since increasingly accurate numerical solutions are obtained by different means, accuracies and computational costs of FV and FE formulations cannot be compared directly. To this end, in this study we benchmark two representative CFD solvers in simulating flow in a patient-specific IA model: (1) ANSYS Fluent, a commercial FV-based solver and (2) VMTKLab multidGetto, a discontinuous Galerkin (dG) FE-based solver. The FV solver's accuracy is improved by increasing the spatial mesh resolution (134k, 1.1m, 8.6m and 68.5m tetrahedral element meshes). The dGFE solver accuracy is increased by increasing the degree of polynomials (first, second, third and fourth degree) on the base 134k tetrahedral element mesh. Solutions from best FV and dGFE approximations are used as baseline for error quantification. On average, velocity errors for second-best approximations are approximately 1cm/s for a [0,125]cm/s velocity magnitude field. Results show that high-order dGFE provide better accuracy per degree of freedom but worse accuracy per Jacobian non-zero entry as compared to FV. Cross-comparison of velocity errors demonstrates asymptotic convergence of both solvers to the same numerical solution. Nevertheless, the discrepancy between under-resolved velocity fields suggests that mesh independence is reached following different paths. This article is protected by copyright. All rights reserved.
Development and verification of the neutron diffusion solver for the GeN-Foam multi-physics platform
International Nuclear Information System (INIS)
Fiorina, Carlo; Kerkar, Nordine; Mikityuk, Konstantin; Rubiolo, Pablo; Pautz, Andreas
2016-01-01
Highlights: • Development and verification of a neutron diffusion solver based on OpenFOAM. • Integration in the GeN-Foam multi-physics platform. • Implementation and verification of acceleration techniques. • Implementation of isotropic discontinuity factors. • Automatic adjustment of discontinuity factors. - Abstract: The Laboratory for Reactor Physics and Systems Behaviour at the PSI and the EPFL has been developing in recent years a new code system for reactor analysis based on OpenFOAM®. The objective is to supplement available legacy codes with a modern tool featuring state-of-the-art characteristics in terms of scalability, programming approach and flexibility. As part of this project, a new solver has been developed for the eigenvalue and transient solution of multi-group diffusion equations. Several features distinguish the developed solver from other available codes, in particular: object oriented programming to ease code modification and maintenance; modern parallel computing capabilities; use of general unstructured meshes; possibility of mesh deformation; cell-wise parametrization of cross-sections; and arbitrary energy group structure. In addition, the solver is integrated into the GeN-Foam multi-physics solver. The general features of the solver and its integration with GeN-Foam have already been presented in previous publications. The present paper describes the diffusion solver in more details and provides an overview of new features recently implemented, including the use of acceleration techniques and discontinuity factors. In addition, a code verification is performed through a comparison with Monte Carlo results for both a thermal and a fast reactor system.
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.
A Generic High-performance GPU-based Library for PDE solvers
DEFF Research Database (Denmark)
Glimberg, Stefan Lemvig; Engsig-Karup, Allan Peter
, the privilege of high-performance parallel computing is now in principle accessible for many scientific users, no matter their economic resources. Though being highly effective units, GPUs and parallel architectures in general, pose challenges for software developers to utilize their efficiency. Sequential...... legacy codes are not always easily parallelized and the time spent on conversion might not pay o in the end. We present a highly generic C++ library for fast assembling of partial differential equation (PDE) solvers, aiming at utilizing the computational resources of GPUs. The library requires a minimum...... of GPU computing knowledge, while still oering the possibility to customize user-specic solvers at kernel level if desired. Spatial dierential operators are based on matrix free exible order nite dierence approximations. These matrix free operators minimize both memory consumption and main memory access...
SuperLU{_}DIST: A scalable distributed-memory sparse direct solver for unsymmetric linear systems
Energy Technology Data Exchange (ETDEWEB)
Li, Xiaoye S.; Demmel, James W.
2002-03-27
In this paper, we present the main algorithmic features in the software package SuperLU{_}DIST, a distributed-memory sparse direct solver for large sets of linear equations. We give in detail our parallelization strategies, with focus on scalability issues, and demonstrate the parallel performance and scalability on current machines. The solver is based on sparse Gaussian elimination, with an innovative static pivoting strategy proposed earlier by the authors. The main advantage of static pivoting over classical partial pivoting is that it permits a priori determination of data structures and communication pattern for sparse Gaussian elimination, which makes it more scalable on distributed memory machines. Based on this a priori knowledge, we designed highly parallel and scalable algorithms for both LU decomposition and triangular solve and we show that they are suitable for large-scale distributed memory machines.
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
A RADIATION TRANSFER SOLVER FOR ATHENA USING SHORT CHARACTERISTICS
International Nuclear Information System (INIS)
Davis, Shane W.; Stone, James M.; Jiang Yanfei
2012-01-01
We describe the implementation of a module for the Athena magnetohydrodynamics (MHD) code that solves the time-independent, multi-frequency radiative transfer (RT) equation on multidimensional Cartesian simulation domains, including scattering and non-local thermodynamic equilibrium (LTE) effects. The module is based on well known and well tested algorithms developed for modeling stellar atmospheres, including the method of short characteristics to solve the RT equation, accelerated Lambda iteration to handle scattering and non-LTE effects, and parallelization via domain decomposition. The module serves several purposes: it can be used to generate spectra and images, to compute a variable Eddington tensor (VET) for full radiation MHD simulations, and to calculate the heating and cooling source terms in the MHD equations in flows where radiation pressure is small compared with gas pressure. For the latter case, the module is combined with the standard MHD integrators using operator splitting: we describe this approach in detail, including a new constraint on the time step for stability due to radiation diffusion modes. Implementation of the VET method for radiation pressure dominated flows is described in a companion paper. We present results from a suite of test problems for both the RT solver itself and for dynamical problems that include radiative heating and cooling. These tests demonstrate that the radiative transfer solution is accurate and confirm that the operator split method is stable, convergent, and efficient for problems of interest. We demonstrate there is no need to adopt ad hoc assumptions of questionable accuracy to solve RT problems in concert with MHD: the computational cost for our general-purpose module for simple (e.g., LTE gray) problems can be comparable to or less than a single time step of Athena's MHD integrators, and only few times more expensive than that for more general (non-LTE) problems.
Directory of Open Access Journals (Sweden)
Sánchez Álvarez , I.
1998-01-01
Full Text Available La relevancia de los problemas de optimización en el mundo empresarial ha generado la introducción de herramientas de optimización cada vez más sofisticadas en las últimas versiones de las hojas de cálculo de utilización generalizada. Estas utilidades, conocidas habitualmente como «solvers», constituyen una alternativa a los programas especializados de optimización cuando no se trata de problemas de gran escala, presentado la ventaja de su facilidad de uso y de comunicación con el usuario final. Frontline Systems Inc es la empresa que desarrolla el «solver» de Excel, si bien existen asimismo versiones para Lotus y Quattro Pro con ligeras diferencias de uso. En su dirección de internet (www.frontsys.com se puede obtener información técnica sobre las diferentes versiones de dicha utilidad y diversos aspectos operativos del programa, algunos de los cuales se comentan en este trabajo.
A sparse-grid isogeometric solver
Beck, Joakim
2018-02-28
Isogeometric Analysis (IGA) typically adopts tensor-product splines and NURBS as a basis for the approximation of the solution of PDEs. In this work, we investigate to which extent IGA solvers can benefit from the so-called sparse-grids construction in its combination technique form, which was first introduced in the early 90’s in the context of the approximation of high-dimensional PDEs.The tests that we report show that, in accordance to the literature, a sparse-grid construction can indeed be useful if the solution of the PDE at hand is sufficiently smooth. Sparse grids can also be useful in the case of non-smooth solutions when some a-priori knowledge on the location of the singularities of the solution can be exploited to devise suitable non-equispaced meshes. Finally, we remark that sparse grids can be seen as a simple way to parallelize pre-existing serial IGA solvers in a straightforward fashion, which can be beneficial in many practical situations.
A sparse version of IGA solvers
Beck, Joakim
2017-07-30
Isogeometric Analysis (IGA) typically adopts tensor-product splines and NURBS as a basis for the approximation of the solution of PDEs. In this work, we investigate to which extent IGA solvers can benefit from the so-called sparse-grids construction in its combination technique form, which was first introduced in the early 90s in the context of the approximation of high-dimensional PDEs. The tests that we report show that, in accordance to the literature, a sparse grids construction can indeed be useful if the solution of the PDE at hand is sufficiently smooth. Sparse grids can also be useful in the case of non-smooth solutions when some a-priori knowledge on the location of the singularities of the solution can be exploited to devise suitable non-equispaced meshes. Finally, we remark that sparse grids can be seen as a simple way to parallelize pre-existing serial IGA solvers in a straightforward fashion, which can be beneficial in many practical situations.
A sparse-grid isogeometric solver
Beck, Joakim; Sangalli, Giancarlo; Tamellini, Lorenzo
2018-01-01
Isogeometric Analysis (IGA) typically adopts tensor-product splines and NURBS as a basis for the approximation of the solution of PDEs. In this work, we investigate to which extent IGA solvers can benefit from the so-called sparse-grids construction in its combination technique form, which was first introduced in the early 90’s in the context of the approximation of high-dimensional PDEs.The tests that we report show that, in accordance to the literature, a sparse-grid construction can indeed be useful if the solution of the PDE at hand is sufficiently smooth. Sparse grids can also be useful in the case of non-smooth solutions when some a-priori knowledge on the location of the singularities of the solution can be exploited to devise suitable non-equispaced meshes. Finally, we remark that sparse grids can be seen as a simple way to parallelize pre-existing serial IGA solvers in a straightforward fashion, which can be beneficial in many practical situations.
A sparse version of IGA solvers
Beck, Joakim; Sangalli, Giancarlo; Tamellini, Lorenzo
2017-01-01
Isogeometric Analysis (IGA) typically adopts tensor-product splines and NURBS as a basis for the approximation of the solution of PDEs. In this work, we investigate to which extent IGA solvers can benefit from the so-called sparse-grids construction in its combination technique form, which was first introduced in the early 90s in the context of the approximation of high-dimensional PDEs. The tests that we report show that, in accordance to the literature, a sparse grids construction can indeed be useful if the solution of the PDE at hand is sufficiently smooth. Sparse grids can also be useful in the case of non-smooth solutions when some a-priori knowledge on the location of the singularities of the solution can be exploited to devise suitable non-equispaced meshes. Finally, we remark that sparse grids can be seen as a simple way to parallelize pre-existing serial IGA solvers in a straightforward fashion, which can be beneficial in many practical situations.
Iterative linear solvers in a 2D radiation-hydrodynamics code: Methods and performance
International Nuclear Information System (INIS)
Baldwin, C.; Brown, P.N.; Falgout, R.; Graziani, F.; Jones, J.
1999-01-01
Computer codes containing both hydrodynamics and radiation play a central role in simulating both astrophysical and inertial confinement fusion (ICF) phenomena. A crucial aspect of these codes is that they require an implicit solution of the radiation diffusion equations. The authors present in this paper the results of a comparison of five different linear solvers on a range of complex radiation and radiation-hydrodynamics problems. The linear solvers used are diagonally scaled conjugate gradient, GMRES with incomplete LU preconditioning, conjugate gradient with incomplete Cholesky preconditioning, multigrid, and multigrid-preconditioned conjugate gradient. These problems involve shock propagation, opacities varying over 5--6 orders of magnitude, tabular equations of state, and dynamic ALE (Arbitrary Lagrangian Eulerian) meshes. They perform a problem size scalability study by comparing linear solver performance over a wide range of problem sizes from 1,000 to 100,000 zones. The fundamental question they address in this paper is: Is it more efficient to invert the matrix in many inexpensive steps (like diagonally scaled conjugate gradient) or in fewer expensive steps (like multigrid)? In addition, what is the answer to this question as a function of problem size and is the answer problem dependent? They find that the diagonally scaled conjugate gradient method performs poorly with the growth of problem size, increasing in both iteration count and overall CPU time with the size of the problem and also increasing for larger time steps. For all problems considered, the multigrid algorithms scale almost perfectly (i.e., the iteration count is approximately independent of problem size and problem time step). For pure radiation flow problems (i.e., no hydrodynamics), they see speedups in CPU time of factors of ∼15--30 for the largest problems, when comparing the multigrid solvers relative to diagonal scaled conjugate gradient
Mang, Andreas; Ruthotto, Lars
2017-01-01
We present an efficient solver for diffeomorphic image registration problems in the framework of Large Deformations Diffeomorphic Metric Mappings (LDDMM). We use an optimal control formulation, in which the velocity field of a hyperbolic PDE needs to be found such that the distance between the final state of the system (the transformed/transported template image) and the observation (the reference image) is minimized. Our solver supports both stationary and non-stationary (i.e., transient or time-dependent) velocity fields. As transformation models, we consider both the transport equation (assuming intensities are preserved during the deformation) and the continuity equation (assuming mass-preservation). We consider the reduced form of the optimal control problem and solve the resulting unconstrained optimization problem using a discretize-then-optimize approach. A key contribution is the elimination of the PDE constraint using a Lagrangian hyperbolic PDE solver. Lagrangian methods rely on the concept of characteristic curves. We approximate these curves using a fourth-order Runge-Kutta method. We also present an efficient algorithm for computing the derivatives of the final state of the system with respect to the velocity field. This allows us to use fast Gauss-Newton based methods. We present quickly converging iterative linear solvers using spectral preconditioners that render the overall optimization efficient and scalable. Our method is embedded into the image registration framework FAIR and, thus, supports the most commonly used similarity measures and regularization functionals. We demonstrate the potential of our new approach using several synthetic and real world test problems with up to 14.7 million degrees of freedom.
Zounemat-Kermani, Mohammad; Sabbagh-Yazdi, Saeed-Reza
2010-06-01
The main objective of this study is the simulation of flow dynamics in the deep parts of the Caspian Sea, in which the southern and middle deep regions are surrounded by considerable areas of shallow zones. To simulate spatio-temporal wind induced hydrodynamics in deep waters, a conjunctive numerical model consisting of a 2D depth average model and a 3D pseudo compressible model is proposed. The 2D model is applied to determine time dependent free surface oscillations as well as the surface velocity patterns and is conjunct to the 3D flow solver for computing three-dimensional velocity and pressure fields which coverage to steady state for the top boundary condition. The modified 2D and 3D sets of equations are conjunct considering interface shear stresses. Both sets of 2D and 3D equations are solved on unstructured triangular and tetrahedral meshes using the Galerkin Finite Volume Method. The conjunctive model is utilized to investigate the deep currents affected by wind, Coriolis forces and the river inflow conditions of the Caspian Sea. In this study, the simulation of flow field due to major winds as well as transient winds in the Caspian Sea during a period of 6 hours in the winter season has been conducted and the numerical results for water surface level are then compared to the 2D numerical results.
Wierenga, P.A.; Egmond, M.R.; Voragen, A.G.J.; Jongh, H.H.J.de
2006-01-01
Unfolding of proteins has often been mentioned as an important factor during the adsorption process at air-water interfaces and in the increase of surface pressure at later stages of the adsorption process. This work focuses on the question whether the folding state of the adsorbed protein depends
Energy Technology Data Exchange (ETDEWEB)
Tanguy, S.
2004-11-15
Spray formation mechanisms study from a liquid-gas flow is a fundamental research subject, which industrial applications are large, especially in combustion and propulsion field. Numerical simulation of such flows appear as an essential complement to experimental and theoretical studies, for comprehension and accurate prediction of such physical processes. In this study we developed an numerical interface tracking technique with a Navier-Stokes solver to study accurately the liquid-gas interface dynamics. We describe Level Set method which has been used to track interface motion, and numerical methods for solving Navier-Stokes equations. Different numerical schemes have been tested to improve the computation accuracy. Ghost Fluid Method enables a robust and accurate treatment of discontinuities across the liquid-gas interface. The codes developed (2D, 3D, parallelization MPI) are then used to study droplets collisions. Comparisons with experimental results show that simulations are realistic and predictive. Next, feasibility studies are done on more complex configurations. Droplets spray formation from primary atomization of a liquid jet seems to be especially a promising investigation field for such simulations. Finally, reactive interfaces propagation, as liquid vaporization and premixed combustion have also been studied using Ghost Fluid Method to impose specific jump conditions. (author)
Numerical simulation of compressible two-phase flow using a diffuse interface method
International Nuclear Information System (INIS)
Ansari, M.R.; Daramizadeh, A.
2013-01-01
Highlights: ► Compressible two-phase gas–gas and gas–liquid flows simulation are conducted. ► Interface conditions contain shock wave and cavitations. ► A high-resolution diffuse interface method is investigated. ► The numerical results exhibit very good agreement with experimental results. -- Abstract: In this article, a high-resolution diffuse interface method is investigated for simulation of compressible two-phase gas–gas and gas–liquid flows, both in the presence of shock wave and in flows with strong rarefaction waves similar to cavitations. A Godunov method and HLLC Riemann solver is used for discretization of the Kapila five-equation model and a modified Schmidt equation of state (EOS) is used to simulate the cavitation regions. This method is applied successfully to some one- and two-dimensional compressible two-phase flows with interface conditions that contain shock wave and cavitations. The numerical results obtained in this attempt exhibit very good agreement with experimental results, as well as previous numerical results presented by other researchers based on other numerical methods. In particular, the algorithm can capture the complex flow features of transient shocks, such as the material discontinuities and interfacial instabilities, without any oscillation and additional diffusion. Numerical examples show that the results of the method presented here compare well with other sophisticated modeling methods like adaptive mesh refinement (AMR) and local mesh refinement (LMR) for one- and two-dimensional problems
A Novel Interactive MINLP Solver for CAPE Applications
DEFF Research Database (Denmark)
Henriksen, Jens Peter; Støy, S.; Russel, Boris Mariboe
2000-01-01
This paper presents an interactive MINLP solver that is particularly suitable for solution of process synthesis, design and analysis problems. The interactive MINLP solver is based on the decomposition based MINLP algorithms, where a NLP sub-problem is solved in the innerloop and a MILP master pr...
Experiences with linear solvers for oil reservoir simulation problems
Energy Technology Data Exchange (ETDEWEB)
Joubert, W.; Janardhan, R. [Los Alamos National Lab., NM (United States); Biswas, D.; Carey, G.
1996-12-31
This talk will focus on practical experiences with iterative linear solver algorithms used in conjunction with Amoco Production Company`s Falcon oil reservoir simulation code. The goal of this study is to determine the best linear solver algorithms for these types of problems. The results of numerical experiments will be presented.
Three-Dimensional Inverse Transport Solver Based on Compressive Sensing Technique
Cheng, Yuxiong; Wu, Hongchun; Cao, Liangzhi; Zheng, Youqi
2013-09-01
According to the direct exposure measurements from flash radiographic image, a compressive sensing-based method for three-dimensional inverse transport problem is presented. The linear absorption coefficients and interface locations of objects are reconstructed directly at the same time. It is always very expensive to obtain enough measurements. With limited measurements, compressive sensing sparse reconstruction technique orthogonal matching pursuit is applied to obtain the sparse coefficients by solving an optimization problem. A three-dimensional inverse transport solver is developed based on a compressive sensing-based technique. There are three features in this solver: (1) AutoCAD is employed as a geometry preprocessor due to its powerful capacity in graphic. (2) The forward projection matrix rather than Gauss matrix is constructed by the visualization tool generator. (3) Fourier transform and Daubechies wavelet transform are adopted to convert an underdetermined system to a well-posed system in the algorithm. Simulations are performed and numerical results in pseudo-sine absorption problem, two-cube problem and two-cylinder problem when using compressive sensing-based solver agree well with the reference value.
Shiskova, I. N.; Kryukov, A. P.; Levashov, V. Yu
2017-11-01
The paper is devoted to research of the heat and mass transfer processes in liquid and vapor phase on the basis of the uniform approach assuming the through description of liquid, interface and vapor. Multiparticles interactions in liquid will be taken into account. The problem is studied when temperature in the depth of liquid differs from temperature in the vapor region. In this case there are both mass flux and heat flux. The study of influence of the correlations resulting from interactions of molecules set in thin near-surface liquid layers and an interface on intensity of evaporation is made. As a result of calculations the equilibrium line of the liquid-vapor saturation is obtained, which corresponds good enough with experimental data. Distributions of density, temperature, pressure, heat and mass fluxes, both in a liquid and in vapor are also presented.
Sanan, P.; Tackley, P. J.; Gerya, T.; Kaus, B. J. P.; May, D.
2017-12-01
StagBL is an open-source parallel solver and discretization library for geodynamic simulation,encapsulating and optimizing operations essential to staggered-grid finite volume Stokes flow solvers.It provides a parallel staggered-grid abstraction with a high-level interface in C and Fortran.On top of this abstraction, tools are available to define boundary conditions and interact with particle systems.Tools and examples to efficiently solve Stokes systems defined on the grid are provided in small (direct solver), medium (simple preconditioners), and large (block factorization and multigrid) model regimes.By working directly with leading application codes (StagYY, I3ELVIS, and LaMEM) and providing an API and examples to integrate with others, StagBL aims to become a community tool supplying scalable, portable, reproducible performance toward novel science in regional- and planet-scale geodynamics and planetary science.By implementing kernels used by many research groups beneath a uniform abstraction layer, the library will enable optimization for modern hardware, thus reducing community barriers to large- or extreme-scale parallel simulation on modern architectures. In particular, the library will include CPU-, Manycore-, and GPU-optimized variants of matrix-free operators and multigrid components.The common layer provides a framework upon which to introduce innovative new tools.StagBL will leverage p4est to provide distributed adaptive meshes, and incorporate a multigrid convergence analysis tool.These options, in addition to a wealth of solver options provided by an interface to PETSc, will make the most modern solution techniques available from a common interface. StagBL in turn provides a PETSc interface, DMStag, to its central staggered grid abstraction.We present public version 0.5 of StagBL, including preliminary integration with application codes and demonstrations with its own demonstration application, StagBLDemo. Central to StagBL is the notion of an
Parallel sparse direct solver for integrated circuit simulation
Chen, Xiaoming; Yang, Huazhong
2017-01-01
This book describes algorithmic methods and parallelization techniques to design a parallel sparse direct solver which is specifically targeted at integrated circuit simulation problems. The authors describe a complete flow and detailed parallel algorithms of the sparse direct solver. They also show how to improve the performance by simple but effective numerical techniques. The sparse direct solver techniques described can be applied to any SPICE-like integrated circuit simulator and have been proven to be high-performance in actual circuit simulation. Readers will benefit from the state-of-the-art parallel integrated circuit simulation techniques described in this book, especially the latest parallel sparse matrix solution techniques. · Introduces complicated algorithms of sparse linear solvers, using concise principles and simple examples, without complex theory or lengthy derivations; · Describes a parallel sparse direct solver that can be adopted to accelerate any SPICE-like integrated circuit simulato...
Development and acceleration of unstructured mesh-based cfd solver
Emelyanov, V.; Karpenko, A.; Volkov, K.
2017-06-01
The study was undertaken as part of a larger effort to establish a common computational fluid dynamics (CFD) code for simulation of internal and external flows and involves some basic validation studies. The governing equations are solved with ¦nite volume code on unstructured meshes. The computational procedure involves reconstruction of the solution in each control volume and extrapolation of the unknowns to find the flow variables on the faces of control volume, solution of Riemann problem for each face of the control volume, and evolution of the time step. The nonlinear CFD solver works in an explicit time-marching fashion, based on a three-step Runge-Kutta stepping procedure. Convergence to a steady state is accelerated by the use of geometric technique and by the application of Jacobi preconditioning for high-speed flows, with a separate low Mach number preconditioning method for use with low-speed flows. The CFD code is implemented on graphics processing units (GPUs). Speedup of solution on GPUs with respect to solution on central processing units (CPU) is compared with the use of different meshes and different methods of distribution of input data into blocks. The results obtained provide promising perspective for designing a GPU-based software framework for applications in CFD.
Optimising a parallel conjugate gradient solver
Energy Technology Data Exchange (ETDEWEB)
Field, M.R. [O`Reilly Institute, Dublin (Ireland)
1996-12-31
This work arises from the introduction of a parallel iterative solver to a large structural analysis finite element code. The code is called FEX and it was developed at Hitachi`s Mechanical Engineering Laboratory. The FEX package can deal with a large range of structural analysis problems using a large number of finite element techniques. FEX can solve either stress or thermal analysis problems of a range of different types from plane stress to a full three-dimensional model. These problems can consist of a number of different materials which can be modelled by a range of material models. The structure being modelled can have the load applied at either a point or a surface, or by a pressure, a centrifugal force or just gravity. Alternatively a thermal load can be applied with a given initial temperature. The displacement of the structure can be constrained by having a fixed boundary or by prescribing the displacement at a boundary.
A New time Integration Scheme for Cahn-hilliard Equations
Schaefer, R.
2015-06-01
In this paper we present a new integration scheme that can be applied to solving difficult non-stationary non-linear problems. It is obtained by a successive linearization of the Crank- Nicolson scheme, that is unconditionally stable, but requires solving non-linear equation at each time step. We applied our linearized scheme for the time integration of the challenging Cahn-Hilliard equation, modeling the phase separation in fluids. At each time step the resulting variational equation is solved using higher-order isogeometric finite element method, with B- spline basis functions. The method was implemented in the PETIGA framework interfaced via the PETSc toolkit. The GMRES iterative solver was utilized for the solution of a resulting linear system at every time step. We also apply a simple adaptivity rule, which increases the time step size when the number of GMRES iterations is lower than 30. We compared our method with a non-linear, two stage predictor-multicorrector scheme, utilizing a sophisticated step length adaptivity. We controlled the stability of our simulations by monitoring the Ginzburg-Landau free energy functional. The proposed integration scheme outperforms the two-stage competitor in terms of the execution time, at the same time having a similar evolution of the free energy functional.
A New time Integration Scheme for Cahn-hilliard Equations
Schaefer, R.; Smol-ka, M.; Dalcin, L; Paszyn'ski, M.
2015-01-01
In this paper we present a new integration scheme that can be applied to solving difficult non-stationary non-linear problems. It is obtained by a successive linearization of the Crank- Nicolson scheme, that is unconditionally stable, but requires solving non-linear equation at each time step. We applied our linearized scheme for the time integration of the challenging Cahn-Hilliard equation, modeling the phase separation in fluids. At each time step the resulting variational equation is solved using higher-order isogeometric finite element method, with B- spline basis functions. The method was implemented in the PETIGA framework interfaced via the PETSc toolkit. The GMRES iterative solver was utilized for the solution of a resulting linear system at every time step. We also apply a simple adaptivity rule, which increases the time step size when the number of GMRES iterations is lower than 30. We compared our method with a non-linear, two stage predictor-multicorrector scheme, utilizing a sophisticated step length adaptivity. We controlled the stability of our simulations by monitoring the Ginzburg-Landau free energy functional. The proposed integration scheme outperforms the two-stage competitor in terms of the execution time, at the same time having a similar evolution of the free energy functional.
Finegold, M.; Mass, R.
1985-01-01
Good problem solvers and poor problem solvers in advanced physics (N=8) were significantly different in their ability in translating, planning, and physical reasoning, as well as in problem solving time; no differences in reliance on algebraic solutions and checking problems were noted. Implications for physics teaching are discussed. (DH)
APBSmem: a graphical interface for electrostatic calculations at the membrane.
Directory of Open Access Journals (Sweden)
Keith M Callenberg
2010-09-01
Full Text Available Electrostatic forces are one of the primary determinants of molecular interactions. They help guide the folding of proteins, increase the binding of one protein to another and facilitate protein-DNA and protein-ligand binding. A popular method for computing the electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB equation, and there are several easy-to-use software packages available that solve the PB equation for soluble proteins. Here we present a freely available program, called APBSmem, for carrying out these calculations in the presence of a membrane. The Adaptive Poisson-Boltzmann Solver (APBS is used as a back-end for solving the PB equation, and a Java-based graphical user interface (GUI coordinates a set of routines that introduce the influence of the membrane, determine its placement relative to the protein, and set the membrane potential. The software Jmol is embedded in the GUI to visualize the protein inserted in the membrane before the calculation and the electrostatic potential after completing the computation. We expect that the ease with which the GUI allows one to carry out these calculations will make this software a useful resource for experimenters and computational researchers alike. Three examples of membrane protein electrostatic calculations are carried out to illustrate how to use APBSmem and to highlight the different quantities of interest that can be calculated.
A Numerical Study of Scalable Cardiac Electro-Mechanical Solvers on HPC Architectures
Directory of Open Access Journals (Sweden)
Piero Colli Franzone
2018-04-01
Full Text Available We introduce and study some scalable domain decomposition preconditioners for cardiac electro-mechanical 3D simulations on parallel HPC (High Performance Computing architectures. The electro-mechanical model of the cardiac tissue is composed of four coupled sub-models: (1 the static finite elasticity equations for the transversely isotropic deformation of the cardiac tissue; (2 the active tension model describing the dynamics of the intracellular calcium, cross-bridge binding and myofilament tension; (3 the anisotropic Bidomain model describing the evolution of the intra- and extra-cellular potentials in the deforming cardiac tissue; and (4 the ionic membrane model describing the dynamics of ionic currents, gating variables, ionic concentrations and stretch-activated channels. This strongly coupled electro-mechanical model is discretized in time with a splitting semi-implicit technique and in space with isoparametric finite elements. The resulting scalable parallel solver is based on Multilevel Additive Schwarz preconditioners for the solution of the Bidomain system and on BDDC preconditioned Newton-Krylov solvers for the non-linear finite elasticity system. The results of several 3D parallel simulations show the scalability of both linear and non-linear solvers and their application to the study of both physiological excitation-contraction cardiac dynamics and re-entrant waves in the presence of different mechano-electrical feedbacks.
Directory of Open Access Journals (Sweden)
Jianfei Zhang
2013-01-01
Full Text Available Graphics processing unit (GPU has obtained great success in scientific computations for its tremendous computational horsepower and very high memory bandwidth. This paper discusses the efficient way to implement polynomial preconditioned conjugate gradient solver for the finite element computation of elasticity on NVIDIA GPUs using compute unified device architecture (CUDA. Sliced block ELLPACK (SBELL format is introduced to store sparse matrix arising from finite element discretization of elasticity with fewer padding zeros than traditional ELLPACK-based formats. Polynomial preconditioning methods have been investigated both in convergence and running time. From the overall performance, the least-squares (L-S polynomial method is chosen as a preconditioner in PCG solver to finite element equations derived from elasticity for its best results on different example meshes. In the PCG solver, mixed precision algorithm is used not only to reduce the overall computational, storage requirements and bandwidth but to make full use of the capacity of the GPU devices. With SBELL format and mixed precision algorithm, the GPU-based L-S preconditioned CG can get a speedup of about 7–9 to CPU-implementation.
Placati, Silvio; Guermandi, Marco; Samore, Andrea; Scarselli, Eleonora Franchi; Guerrieri, Roberto
2016-09-01
Diffuse optical tomography is an imaging technique, based on evaluation of how light propagates within the human head to obtain the functional information about the brain. Precision in reconstructing such an optical properties map is highly affected by the accuracy of the light propagation model implemented, which needs to take into account the presence of clear and scattering tissues. We present a numerical solver based on the radiosity-diffusion model, integrating the anatomical information provided by a structural MRI. The solver is designed to run on parallel heterogeneous platforms based on multiple GPUs and CPUs. We demonstrate how the solver provides a 7 times speed-up over an isotropic-scattered parallel Monte Carlo engine based on a radiative transport equation for a domain composed of 2 million voxels, along with a significant improvement in accuracy. The speed-up greatly increases for larger domains, allowing us to compute the light distribution of a full human head ( ≈ 3 million voxels) in 116 s for the platform used.
PUFoam : A novel open-source CFD solver for the simulation of polyurethane foams
Karimi, M.; Droghetti, H.; Marchisio, D. L.
2017-08-01
In this work a transient three-dimensional mathematical model is formulated and validated for the simulation of polyurethane (PU) foams. The model is based on computational fluid dynamics (CFD) and is coupled with a population balance equation (PBE) to describe the evolution of the gas bubbles/cells within the PU foam. The front face of the expanding foam is monitored on the basis of the volume-of-fluid (VOF) method using a compressible solver available in OpenFOAM version 3.0.1. The solver is additionally supplemented to include the PBE, solved with the quadrature method of moments (QMOM), the polymerization kinetics, an adequate rheological model and a simple model for the foam thermal conductivity. The new solver is labelled as PUFoam and is, for the first time in this work, validated for 12 different mixing-cup experiments. Comparison of the time evolution of the predicted and experimentally measured density and temperature of the PU foam shows the potentials and limitations of the approach.
Ji, Xing; Zhao, Fengxiang; Shyy, Wei; Xu, Kun
2018-03-01
Most high order computational fluid dynamics (CFD) methods for compressible flows are based on Riemann solver for the flux evaluation and Runge-Kutta (RK) time stepping technique for temporal accuracy. The advantage of this kind of space-time separation approach is the easy implementation and stability enhancement by introducing more middle stages. However, the nth-order time accuracy needs no less than n stages for the RK method, which can be very time and memory consuming due to the reconstruction at each stage for a high order method. On the other hand, the multi-stage multi-derivative (MSMD) method can be used to achieve the same order of time accuracy using less middle stages with the use of the time derivatives of the flux function. For traditional Riemann solver based CFD methods, the lack of time derivatives in the flux function prevents its direct implementation of the MSMD method. However, the gas kinetic scheme (GKS) provides such a time accurate evolution model. By combining the second-order or third-order GKS flux functions with the MSMD technique, a family of high order gas kinetic methods can be constructed. As an extension of the previous 2-stage 4th-order GKS, the 5th-order schemes with 2 and 3 stages will be developed in this paper. Based on the same 5th-order WENO reconstruction, the performance of gas kinetic schemes from the 2nd- to the 5th-order time accurate methods will be evaluated. The results show that the 5th-order scheme can achieve the theoretical order of accuracy for the Euler equations, and present accurate Navier-Stokes solutions as well due to the coupling of inviscid and viscous terms in the GKS formulation. In comparison with Riemann solver based 5th-order RK method, the high order GKS has advantages in terms of efficiency, accuracy, and robustness, for all test cases. The 4th- and 5th-order GKS have the same robustness as the 2nd-order scheme for the capturing of discontinuous solutions. The current high order MSMD GKS is a
International Nuclear Information System (INIS)
Yokoyama, Kenji; Numata, Kazuyuki
2008-01-01
A new cross section adjustment and nuclear design accuracy evaluation solver was developed as a set of modules for MARBLE (multi-purpose advanced reactor physics analysis system based on language of engineering). In order to enhance the system extendibility and flexibility, the object-oriented design and analysis technique was adopted to the development. In the new system, it is easy to add a new design accuracy evaluation method because a new numerical calculation module is independent from other modules. Further, several new functions such as searching and editing calculation data are provided in the new solver. These functions can be easily customised by users because they are designed to work cooperatively with Python scripting language, which is used as a user interface of the MARBLE system. In order to validate the new solver, a test calculation was performed for a realistic calculation case of creating a new unified cross section library. In the test calculation, results calculated by the new solver agreed well with those by the conventional code system. In addition, it is possible to reuse existing input data files prepared for the conventional code system because the new solver utilities support the conventional formats. Because the new solver implements all main functions of the conventional code system, MARBLE can be used as a new calculation code system for cross section adjustment and nuclear design accuracy evaluation
New sparse matrix solver in the KIKO3D 3-dimensional reactor dynamics code
International Nuclear Information System (INIS)
Panka, I.; Kereszturi, A.; Hegedus, C.
2005-01-01
The goal of this paper is to present a more effective method Bi-CGSTAB for accelerating the large sparse matrix equation solution in the KIKO3D code. This equation system is obtained by using the factorization of the improved quasi static (IQS) method for the time dependent nodal kinetic equations. In the old methodology standard large sparse matrix techniques were considered, where Gauss-Seidel preconditioning and a GMRES-type solver were applied. The validation of KIKO3D using Bi-CGSTAB has been performed by solving of a VVER-1000 kinetic benchmark problem. Additionally, the convergence characteristics were investigated in given macro time steps of Control Rod Ejection transients. The results have been obtained by the old GMRES and new Bi-CGSTAB methods are compared. (author)
Transient analysis of plasmonic nanostructures using an MOT-PMCHWT solver
Uysal, Ismail Enes
2015-10-26
A marching on in time (MOT) scheme for solving the Poggio-Miller-Chan-Harrington-Wu-Tsai (PMCHWT) surface integral equation on plasmonic nanostructures is described. The proposed scheme calls for temporal convolutions of the permittivity and Green function of the plasmonic medium with the temporal basis function. Time domain samples of the permittivity and the Green function required by these convolutions are computed using a fast relaxed vector fitting (FRVF) algorithm. Numerical results demonstrate the accuracy and applicability of the proposed MOT-PMCHWT solver.
An unstructured shock-fitting solver for hypersonic plasma flows in chemical non-equilibrium
Pepe, R.; Bonfiglioli, A.; D'Angola, A.; Colonna, G.; Paciorri, R.
2015-11-01
A CFD solver, using Residual Distribution Schemes on unstructured grids, has been extended to deal with inviscid chemical non-equilibrium flows. The conservative equations have been coupled with a kinetic model for argon plasma which includes the argon metastable state as independent species, taking into account electron-atom and atom-atom processes. Results in the case of an hypersonic flow around an infinite cylinder, obtained by using both shock-capturing and shock-fitting approaches, show higher accuracy of the shock-fitting approach.
Z3str3: A String Solver with Theory-aware Branching
Berzish, Murphy; Zheng, Yunhui; Ganesh, Vijay
2017-01-01
We present a new string SMT solver, Z3str3, that is faster than its competitors Z3str2, Norn, CVC4, S3, and S3P over a majority of three industrial-strength benchmarks, namely Kaluza, PISA, and IBM AppScan. Z3str3 supports string equations, linear arithmetic over length function, and regular language membership predicate. The key algorithmic innovation behind the efficiency of Z3str3 is a technique we call theory-aware branching, wherein we modify Z3's branching heuristic to take into account...
Comparison of open-source linear programming solvers.
Energy Technology Data Exchange (ETDEWEB)
Gearhart, Jared Lee; Adair, Kristin Lynn; Durfee, Justin David.; Jones, Katherine A.; Martin, Nathaniel; Detry, Richard Joseph
2013-10-01
When developing linear programming models, issues such as budget limitations, customer requirements, or licensing may preclude the use of commercial linear programming solvers. In such cases, one option is to use an open-source linear programming solver. A survey of linear programming tools was conducted to identify potential open-source solvers. From this survey, four open-source solvers were tested using a collection of linear programming test problems and the results were compared to IBM ILOG CPLEX Optimizer (CPLEX) [1], an industry standard. The solvers considered were: COIN-OR Linear Programming (CLP) [2], [3], GNU Linear Programming Kit (GLPK) [4], lp_solve [5] and Modular In-core Nonlinear Optimization System (MINOS) [6]. As no open-source solver outperforms CPLEX, this study demonstrates the power of commercial linear programming software. CLP was found to be the top performing open-source solver considered in terms of capability and speed. GLPK also performed well but cannot match the speed of CLP or CPLEX. lp_solve and MINOS were considerably slower and encountered issues when solving several test problems.
Alemi Ardakani, Hamid; Bridges, Thomas J.; Turner, Matthew R.
2016-06-01
A class of augmented approximate Riemann solvers due to George (2008) [12] is extended to solve the shallow-water equations in a moving vessel with variable bottom topography and variable cross-section with wetting and drying. A class of Roe-type upwind solvers for the system of balance laws is derived which respects the steady-state solutions. The numerical solutions of the new adapted augmented f-wave solvers are validated against the Roe-type solvers. The theory is extended to solve the shallow-water flows in moving vessels with arbitrary cross-section with influx-efflux boundary conditions motivated by the shallow-water sloshing in the ocean wave energy converter (WEC) proposed by Offshore Wave Energy Ltd. (OWEL) [1]. A fractional step approach is used to handle the time-dependent forcing functions. The numerical solutions are compared to an extended new Roe-type solver for the system of balance laws with a time-dependent source function. The shallow-water sloshing finite volume solver can be coupled to a Runge-Kutta integrator for the vessel motion.
Energy Technology Data Exchange (ETDEWEB)
Weston, Brian T. [Univ. of California, Davis, CA (United States)
2017-05-17
This dissertation focuses on the development of a fully-implicit, high-order compressible ow solver with phase change. The work is motivated by laser-induced phase change applications, particularly by the need to develop large-scale multi-physics simulations of the selective laser melting (SLM) process in metal additive manufacturing (3D printing). Simulations of the SLM process require precise tracking of multi-material solid-liquid-gas interfaces, due to laser-induced melting/ solidi cation and evaporation/condensation of metal powder in an ambient gas. These rapid density variations and phase change processes tightly couple the governing equations, requiring a fully compressible framework to robustly capture the rapid density variations of the ambient gas and the melting/evaporation of the metal powder. For non-isothermal phase change, the velocity is gradually suppressed through the mushy region by a variable viscosity and Darcy source term model. The governing equations are discretized up to 4th-order accuracy with our reconstructed Discontinuous Galerkin spatial discretization scheme and up to 5th-order accuracy with L-stable fully implicit time discretization schemes (BDF2 and ESDIRK3-5). The resulting set of non-linear equations is solved using a robust Newton-Krylov method, with the Jacobian-free version of the GMRES solver for linear iterations. Due to the sti nes associated with the acoustic waves and thermal and viscous/material strength e ects, preconditioning the GMRES solver is essential. A robust and scalable approximate block factorization preconditioner was developed, which utilizes the velocity-pressure (vP) and velocity-temperature (vT) Schur complement systems. This multigrid block reduction preconditioning technique converges for high CFL/Fourier numbers and exhibits excellent parallel and algorithmic scalability on classic benchmark problems in uid dynamics (lid-driven cavity ow and natural convection heat transfer) as well as for laser
Learning Domain-Specific Heuristics for Answer Set Solvers
Balduccini, Marcello
2010-01-01
In spite of the recent improvements in the performance of Answer Set Programming (ASP) solvers, when the search space is sufficiently large, it is still possible for the search algorithm to mistakenly focus on areas of the search space that contain no solutions or very few. When that happens, performance degrades substantially, even to the point that the solver may need to be terminated before returning an answer. This prospect is a concern when one is considering using such a solver in an in...
International Nuclear Information System (INIS)
Vadlamani, Srinath; Kruger, Scott; Austin, Travis
2008-01-01
Extended magnetohydrodynamic (MHD) codes are used to model the large, slow-growing instabilities that are projected to limit the performance of International Thermonuclear Experimental Reactor (ITER). The multiscale nature of the extended MHD equations requires an implicit approach. The current linear solvers needed for the implicit algorithm scale poorly because the resultant matrices are so ill-conditioned. A new solver is needed, especially one that scales to the petascale. The most successful scalable parallel processor solvers to date are multigrid solvers. Applying multigrid techniques to a set of equations whose fundamental modes are dispersive waves is a promising solution to CEMM problems. For the Phase 1, we implemented multigrid preconditioners from the HYPRE project of the Center for Applied Scientific Computing at LLNL via PETSc of the DOE SciDAC TOPS for the real matrix systems of the extended MHD code NIMROD which is a one of the primary modeling codes of the OFES-funded Center for Extended Magnetohydrodynamic Modeling (CEMM) SciDAC. We implemented the multigrid solvers on the fusion test problem that allows for real matrix systems with success, and in the process learned about the details of NIMROD data structures and the difficulties of inverting NIMROD operators. The further success of this project will allow for efficient usage of future petascale computers at the National Leadership Facilities: Oak Ridge National Laboratory, Argonne National Laboratory, and National Energy Research Scientific Computing Center. The project will be a collaborative effort between computational plasma physicists and applied mathematicians at Tech-X Corporation, applied mathematicians Front Range Scientific Computations, Inc. (who are collaborators on the HYPRE project), and other computational plasma physicists involved with the CEMM project.
Neutron transport solver parallelization using a Domain Decomposition method
International Nuclear Information System (INIS)
Van Criekingen, S.; Nataf, F.; Have, P.
2008-01-01
A domain decomposition (DD) method is investigated for the parallel solution of the second-order even-parity form of the time-independent Boltzmann transport equation. The spatial discretization is performed using finite elements, and the angular discretization using spherical harmonic expansions (P N method). The main idea developed here is due to P.L. Lions. It consists in having sub-domains exchanging not only interface point flux values, but also interface flux 'derivative' values. (The word 'derivative' is here used with quotes, because in the case considered here, it in fact consists in the Ω.∇ operator, with Ω the angular variable vector and ∇ the spatial gradient operator.) A parameter α is introduced, as proportionality coefficient between point flux and 'derivative' values. This parameter can be tuned - so far heuristically - to optimize the method. (authors)
International Nuclear Information System (INIS)
Johnston, Hans; Liu Jianguo
2004-01-01
We present numerical schemes for the incompressible Navier-Stokes equations based on a primitive variable formulation in which the incompressibility constraint has been replaced by a pressure Poisson equation. The pressure is treated explicitly in time, completely decoupling the computation of the momentum and kinematic equations. The result is a class of extremely efficient Navier-Stokes solvers. Full time accuracy is achieved for all flow variables. The key to the schemes is a Neumann boundary condition for the pressure Poisson equation which enforces the incompressibility condition for the velocity field. Irrespective of explicit or implicit time discretization of the viscous term in the momentum equation the explicit time discretization of the pressure term does not affect the time step constraint. Indeed, we prove unconditional stability of the new formulation for the Stokes equation with explicit treatment of the pressure term and first or second order implicit treatment of the viscous term. Systematic numerical experiments for the full Navier-Stokes equations indicate that a second order implicit time discretization of the viscous term, with the pressure and convective terms treated explicitly, is stable under the standard CFL condition. Additionally, various numerical examples are presented, including both implicit and explicit time discretizations, using spectral and finite difference spatial discretizations, demonstrating the accuracy, flexibility and efficiency of this class of schemes. In particular, a Galerkin formulation is presented requiring only C 0 elements to implement
Fast sweeping algorithm for accurate solution of the TTI eikonal equation using factorization
bin Waheed, Umair; Alkhalifah, Tariq Ali
2017-01-01
computational domain. We address the source-singularity problem for tilted transversely isotropic (TTI) eikonal solvers using factorization. We solve a sequence of factored tilted elliptically anisotropic (TEA) eikonal equations iteratively, each time
Energy Technology Data Exchange (ETDEWEB)
Fiorina, Carlo, E-mail: carlo.fiorina@psi.ch [Paul Scherrer Institut, Nuclear Energy and Safety Department, Laboratory for Reactor Physics and Systems Behaviour – PSI, Villigen 5232 (Switzerland); Clifford, Ivor [Paul Scherrer Institut, Nuclear Energy and Safety Department, Laboratory for Reactor Physics and Systems Behaviour – PSI, Villigen 5232 (Switzerland); Aufiero, Manuele [LPSC-IN2P3-CNRS/UJF/Grenoble INP, 53 avenue des Martyrs, 38026 Grenoble Cedex (France); Mikityuk, Konstantin [Paul Scherrer Institut, Nuclear Energy and Safety Department, Laboratory for Reactor Physics and Systems Behaviour – PSI, Villigen 5232 (Switzerland)
2015-12-01
Highlights: • Development of a new multi-physics solver based on OpenFOAM{sup ®}. • Tight coupling of thermal-hydraulics, thermal-mechanics and neutronics. • Combined use of traditional RANS and porous-medium models. • Mesh for neutronics deformed according to the predicted displacement field. • Use of three unstructured meshes, adaptive time step, parallel computing. - Abstract: The FAST group at the Paul Scherrer Institut has been developing a code system for reactor analysis for many years. For transient analysis, this code system is currently based on a state-of-the-art coupled TRACE-PARCS routine. This work presents an attempt to supplement the FAST code system with a novel solver characterized by tight coupling between the different equations, parallel computing capabilities, adaptive time-stepping and more accurate treatment of some of the phenomena involved in a reactor transient. The new solver is based on OpenFOAM{sup ®}, an open-source C++ library for the solution of partial differential equations using finite-volume discretization. It couples together a multi-scale fine/coarse mesh sub-solver for thermal-hydraulics, a multi-group diffusion sub-solver for neutronics, a displacement-based sub-solver for thermal-mechanics and a finite-difference model for the temperature field in the fuel. It is targeted toward the analysis of pin-based reactors (e.g., liquid metal fast reactors or light water reactors) or homogeneous reactors (e.g., fast-spectrum molten salt reactors). This paper presents each “single-physics” sub-solver and the overall coupling strategy, using the sodium-cooled fast reactor as a test case, and essential code verification tests are described.
International Nuclear Information System (INIS)
Fiorina, Carlo; Clifford, Ivor; Aufiero, Manuele; Mikityuk, Konstantin
2015-01-01
Highlights: • Development of a new multi-physics solver based on OpenFOAM"®. • Tight coupling of thermal-hydraulics, thermal-mechanics and neutronics. • Combined use of traditional RANS and porous-medium models. • Mesh for neutronics deformed according to the predicted displacement field. • Use of three unstructured meshes, adaptive time step, parallel computing. - Abstract: The FAST group at the Paul Scherrer Institut has been developing a code system for reactor analysis for many years. For transient analysis, this code system is currently based on a state-of-the-art coupled TRACE-PARCS routine. This work presents an attempt to supplement the FAST code system with a novel solver characterized by tight coupling between the different equations, parallel computing capabilities, adaptive time-stepping and more accurate treatment of some of the phenomena involved in a reactor transient. The new solver is based on OpenFOAM"®, an open-source C++ library for the solution of partial differential equations using finite-volume discretization. It couples together a multi-scale fine/coarse mesh sub-solver for thermal-hydraulics, a multi-group diffusion sub-solver for neutronics, a displacement-based sub-solver for thermal-mechanics and a finite-difference model for the temperature field in the fuel. It is targeted toward the analysis of pin-based reactors (e.g., liquid metal fast reactors or light water reactors) or homogeneous reactors (e.g., fast-spectrum molten salt reactors). This paper presents each “single-physics” sub-solver and the overall coupling strategy, using the sodium-cooled fast reactor as a test case, and essential code verification tests are described.
Hrubý, Jan; Duška, Michal
2014-03-01
We present a system of analytical equations for computation of all thermodynamic properties of dry steam and liquid water (undesaturated, saturated and metastable supersaturated) and properties of the liquid-vapor phase interface. The form of the equations is such that it enables computation of all thermodynamic properties for independent variables directly related to the balanced quantities - total mass, liquid mass, energy, momenta. This makes it suitable for the solvers of fluid dynamics equations in the conservative form. Thermodynamic properties of dry steam and liquid water are formulated in terms of special thermodynamic potentials and all properties are obtained as analytical derivatives. For the surface tension, the IAPWS formula is used. The interfacial internal energy is derived from the surface tension and it is used in the energy balance. Unlike common models, the present one provides real (contrary to perfect gas approximation) properties of steam and water and reflects the energetic effects due to the surface tension. The equations are based on re-fitting the reference formulation IAPWS-95 and selected experimental data. The mathematical structure of the equations is optimized for fast computation.
Directory of Open Access Journals (Sweden)
Hrubý Jan
2014-03-01
Full Text Available We present a system of analytical equations for computation of all thermodynamic properties of dry steam and liquid water (undesaturated, saturated and metastable supersaturated and properties of the liquid-vapor phase interface. The form of the equations is such that it enables computation of all thermodynamic properties for independent variables directly related to the balanced quantities - total mass, liquid mass, energy, momenta. This makes it suitable for the solvers of fluid dynamics equations in the conservative form. Thermodynamic properties of dry steam and liquid water are formulated in terms of special thermodynamic potentials and all properties are obtained as analytical derivatives. For the surface tension, the IAPWS formula is used. The interfacial internal energy is derived from the surface tension and it is used in the energy balance. Unlike common models, the present one provides real (contrary to perfect gas approximation properties of steam and water and reflects the energetic effects due to the surface tension. The equations are based on re-fitting the reference formulation IAPWS-95 and selected experimental data. The mathematical structure of the equations is optimized for fast computation.
Refined isogeometric analysis for a preconditioned conjugate gradient solver
Garcia, Daniel; Pardo, D.; Dalcin, Lisandro; Calo, Victor M.
2018-01-01
Starting from a highly continuous Isogeometric Analysis (IGA) discretization, refined Isogeometric Analysis (rIGA) introduces C0 hyperplanes that act as separators for the direct LU factorization solver. As a result, the total computational cost
Resolving Neighbourhood Relations in a Parallel Fluid Dynamic Solver
Frisch, Jerome; Mundani, Ralf-Peter; Rank, Ernst
2012-01-01
solver with a special aspect on the hierarchical data structure, unique cell and grid identification, and the neighbourhood relations in-between grids on different processes. A special server concept keeps track of every grid over all processes while
Advanced Algebraic Multigrid Solvers for Subsurface Flow Simulation
Chen, Meng-Huo; Sun, Shuyu; Salama, Amgad
2015-01-01
and issues will be addressed and the corresponding remedies will be studied. As the multigrid methods are used as the linear solver, the simulator can be parallelized (although not trivial) and the high-resolution simulation become feasible, the ultimately
Parallel iterative solvers and preconditioners using approximate hierarchical methods
Energy Technology Data Exchange (ETDEWEB)
Grama, A.; Kumar, V.; Sameh, A. [Univ. of Minnesota, Minneapolis, MN (United States)
1996-12-31
In this paper, we report results of the performance, convergence, and accuracy of a parallel GMRES solver for Boundary Element Methods. The solver uses a hierarchical approximate matrix-vector product based on a hybrid Barnes-Hut / Fast Multipole Method. We study the impact of various accuracy parameters on the convergence and show that with minimal loss in accuracy, our solver yields significant speedups. We demonstrate the excellent parallel efficiency and scalability of our solver. The combined speedups from approximation and parallelism represent an improvement of several orders in solution time. We also develop fast and paralellizable preconditioners for this problem. We report on the performance of an inner-outer scheme and a preconditioner based on truncated Green`s function. Experimental results on a 256 processor Cray T3D are presented.
Evaluating the performance of the two-phase flow solver interFoam
International Nuclear Information System (INIS)
Deshpande, Suraj S; Anumolu, Lakshman; Trujillo, Mario F
2012-01-01
The performance of the open source multiphase flow solver, interFoam, is evaluated in this work. The solver is based on a modified volume of fluid (VoF) approach, which incorporates an interfacial compression flux term to mitigate the effects of numerical smearing of the interface. It forms a part of the C + + libraries and utilities of OpenFOAM and is gaining popularity in the multiphase flow research community. However, to the best of our knowledge, the evaluation of this solver is confined to the validation tests of specific interest to the users of the code and the extent of its applicability to a wide range of multiphase flow situations remains to be explored. In this work, we have performed a thorough investigation of the solver performance using a variety of verification and validation test cases, which include (i) verification tests for pure advection (kinematics), (ii) dynamics in the high Weber number limit and (iii) dynamics of surface tension-dominated flows. With respect to (i), the kinematics tests show that the performance of interFoam is generally comparable with the recent algebraic VoF algorithms; however, it is noticeably worse than the geometric reconstruction schemes. For (ii), the simulations of inertia-dominated flows with large density ratios ∼O(10 3 ) yielded excellent agreement with analytical and experimental results. In regime (iii), where surface tension is important, consistency of pressure–surface tension formulation and accuracy of curvature are important, as established by Francois et al (2006 J. Comput. Phys. 213 141–73). Several verification tests were performed along these lines and the main findings are: (a) the algorithm of interFoam ensures a consistent formulation of pressure and surface tension; (b) the curvatures computed by the solver converge to a value slightly (10%) different from the analytical value and a scope for improvement exists in this respect. To reduce the disruptive effects of spurious currents, we
Evaluating the performance of the two-phase flow solver interFoam
Deshpande, Suraj S.; Anumolu, Lakshman; Trujillo, Mario F.
2012-01-01
The performance of the open source multiphase flow solver, interFoam, is evaluated in this work. The solver is based on a modified volume of fluid (VoF) approach, which incorporates an interfacial compression flux term to mitigate the effects of numerical smearing of the interface. It forms a part of the C + + libraries and utilities of OpenFOAM and is gaining popularity in the multiphase flow research community. However, to the best of our knowledge, the evaluation of this solver is confined to the validation tests of specific interest to the users of the code and the extent of its applicability to a wide range of multiphase flow situations remains to be explored. In this work, we have performed a thorough investigation of the solver performance using a variety of verification and validation test cases, which include (i) verification tests for pure advection (kinematics), (ii) dynamics in the high Weber number limit and (iii) dynamics of surface tension-dominated flows. With respect to (i), the kinematics tests show that the performance of interFoam is generally comparable with the recent algebraic VoF algorithms; however, it is noticeably worse than the geometric reconstruction schemes. For (ii), the simulations of inertia-dominated flows with large density ratios {\\sim }\\mathscr {O}(10^3) yielded excellent agreement with analytical and experimental results. In regime (iii), where surface tension is important, consistency of pressure-surface tension formulation and accuracy of curvature are important, as established by Francois et al (2006 J. Comput. Phys. 213 141-73). Several verification tests were performed along these lines and the main findings are: (a) the algorithm of interFoam ensures a consistent formulation of pressure and surface tension; (b) the curvatures computed by the solver converge to a value slightly (10%) different from the analytical value and a scope for improvement exists in this respect. To reduce the disruptive effects of spurious
Acceleration of the OpenFOAM-based MHD solver using graphics processing units
International Nuclear Information System (INIS)
He, Qingyun; Chen, Hongli; Feng, Jingchao
2015-01-01
Highlights: • A 3D PISO-MHD was implemented on Kepler-class graphics processing units (GPUs) using CUDA technology. • A consistent and conservative scheme is used in the code which was validated by three basic benchmarks in a rectangular and round ducts. • Parallelized of CPU and GPU acceleration were compared relating to single core CPU in MHD problems and non-MHD problems. • Different preconditions for solving MHD solver were compared and the results showed that AMG method is better for calculations. - Abstract: The pressure-implicit with splitting of operators (PISO) magnetohydrodynamics MHD solver of the couple of Navier–Stokes equations and Maxwell equations was implemented on Kepler-class graphics processing units (GPUs) using the CUDA technology. The solver is developed on open source code OpenFOAM based on consistent and conservative scheme which is suitable for simulating MHD flow under strong magnetic field in fusion liquid metal blanket with structured or unstructured mesh. We verified the validity of the implementation on several standard cases including the benchmark I of Shercliff and Hunt's cases, benchmark II of fully developed circular pipe MHD flow cases and benchmark III of KIT experimental case. Computational performance of the GPU implementation was examined by comparing its double precision run times with those of essentially the same algorithms and meshes. The resulted showed that a GPU (GTX 770) can outperform a server-class 4-core, 8-thread CPU (Intel Core i7-4770k) by a factor of 2 at least.
Acceleration of the OpenFOAM-based MHD solver using graphics processing units
Energy Technology Data Exchange (ETDEWEB)
He, Qingyun; Chen, Hongli, E-mail: hlchen1@ustc.edu.cn; Feng, Jingchao
2015-12-15
Highlights: • A 3D PISO-MHD was implemented on Kepler-class graphics processing units (GPUs) using CUDA technology. • A consistent and conservative scheme is used in the code which was validated by three basic benchmarks in a rectangular and round ducts. • Parallelized of CPU and GPU acceleration were compared relating to single core CPU in MHD problems and non-MHD problems. • Different preconditions for solving MHD solver were compared and the results showed that AMG method is better for calculations. - Abstract: The pressure-implicit with splitting of operators (PISO) magnetohydrodynamics MHD solver of the couple of Navier–Stokes equations and Maxwell equations was implemented on Kepler-class graphics processing units (GPUs) using the CUDA technology. The solver is developed on open source code OpenFOAM based on consistent and conservative scheme which is suitable for simulating MHD flow under strong magnetic field in fusion liquid metal blanket with structured or unstructured mesh. We verified the validity of the implementation on several standard cases including the benchmark I of Shercliff and Hunt's cases, benchmark II of fully developed circular pipe MHD flow cases and benchmark III of KIT experimental case. Computational performance of the GPU implementation was examined by comparing its double precision run times with those of essentially the same algorithms and meshes. The resulted showed that a GPU (GTX 770) can outperform a server-class 4-core, 8-thread CPU (Intel Core i7-4770k) by a factor of 2 at least.
Moorthi, Shrinivas; Higgins, R. W.
1993-01-01
An efficient, direct, second-order solver for the discrete solution of a class of two-dimensional separable elliptic equations on the sphere (which generally arise in implicit and semi-implicit atmospheric models) is presented. The method involves a Fourier transformation in longitude and a direct solution of the resulting coupled second-order finite-difference equations in latitude. The solver is made efficient by vectorizing over longitudinal wave-number and by using a vectorized fast Fourier transform routine. It is evaluated using a prescribed solution method and compared with a multigrid solver and the standard direct solver from FISHPAK.
International Nuclear Information System (INIS)
Lu Yujie; Zhu Banghe; Rasmussen, John C; Sevick-Muraca, Eva M; Shen Haiou; Wang Ge
2010-01-01
Fluorescence molecular imaging/tomography may play an important future role in preclinical research and clinical diagnostics. Time- and frequency-domain fluorescence imaging can acquire more measurement information than the continuous wave (CW) counterpart, improving the image quality of fluorescence molecular tomography. Although diffusion approximation (DA) theory has been extensively applied in optical molecular imaging, high-order photon migration models need to be further investigated to match quantitation provided by nuclear imaging. In this paper, a frequency-domain parallel adaptive finite element solver is developed with simplified spherical harmonics (SP N ) approximations. To fully evaluate the performance of the SP N approximations, a fast time-resolved tetrahedron-based Monte Carlo fluorescence simulator suitable for complex heterogeneous geometries is developed using a convolution strategy to realize the simulation of the fluorescence excitation and emission. The validation results show that high-order SP N can effectively correct the modeling errors of the diffusion equation, especially when the tissues have high absorption characteristics or when high modulation frequency measurements are used. Furthermore, the parallel adaptive mesh evolution strategy improves the modeling precision and the simulation speed significantly on a realistic digital mouse phantom. This solver is a promising platform for fluorescence molecular tomography using high-order approximations to the radiative transfer equation.
Design of a Modular Monolithic Implicit Solver for Multi-Physics Applications
Carton De Wiart, Corentin; Diosady, Laslo T.; Garai, Anirban; Burgess, Nicholas; Blonigan, Patrick; Ekelschot, Dirk; Murman, Scott M.
2018-01-01
The design of a modular multi-physics high-order space-time finite-element framework is presented together with its extension to allow monolithic coupling of different physics. One of the main objectives of the framework is to perform efficient high- fidelity simulations of capsule/parachute systems. This problem requires simulating multiple physics including, but not limited to, the compressible Navier-Stokes equations, the dynamics of a moving body with mesh deformations and adaptation, the linear shell equations, non-re effective boundary conditions and wall modeling. The solver is based on high-order space-time - finite element methods. Continuous, discontinuous and C1-discontinuous Galerkin methods are implemented, allowing one to discretize various physical models. Tangent and adjoint sensitivity analysis are also targeted in order to conduct gradient-based optimization, error estimation, mesh adaptation, and flow control, adding another layer of complexity to the framework. The decisions made to tackle these challenges are presented. The discussion focuses first on the "single-physics" solver and later on its extension to the monolithic coupling of different physics. The implementation of different physics modules, relevant to the capsule/parachute system, are also presented. Finally, examples of coupled computations are presented, paving the way to the simulation of the full capsule/parachute system.
A robust multilevel simultaneous eigenvalue solver
Costiner, Sorin; Taasan, Shlomo
1993-01-01
Multilevel (ML) algorithms for eigenvalue problems are often faced with several types of difficulties such as: the mixing of approximated eigenvectors by the solution process, the approximation of incomplete clusters of eigenvectors, the poor representation of solution on coarse levels, and the existence of close or equal eigenvalues. Algorithms that do not treat appropriately these difficulties usually fail, or their performance degrades when facing them. These issues motivated the development of a robust adaptive ML algorithm which treats these difficulties, for the calculation of a few eigenvectors and their corresponding eigenvalues. The main techniques used in the new algorithm include: the adaptive completion and separation of the relevant clusters on different levels, the simultaneous treatment of solutions within each cluster, and the robustness tests which monitor the algorithm's efficiency and convergence. The eigenvectors' separation efficiency is based on a new ML projection technique generalizing the Rayleigh Ritz projection, combined with a technique, the backrotations. These separation techniques, when combined with an FMG formulation, in many cases lead to algorithms of O(qN) complexity, for q eigenvectors of size N on the finest level. Previously developed ML algorithms are less focused on the mentioned difficulties. Moreover, algorithms which employ fine level separation techniques are of O(q(sub 2)N) complexity and usually do not overcome all these difficulties. Computational examples are presented where Schrodinger type eigenvalue problems in 2-D and 3-D, having equal and closely clustered eigenvalues, are solved with the efficiency of the Poisson multigrid solver. A second order approximation is obtained in O(qN) work, where the total computational work is equivalent to only a few fine level relaxations per eigenvector.
Towards a sharp-interface volume-of-fluid methodology for modeling evaporation
Pathak, Ashish; Raessi, Mehdi
2017-11-01
In modeling evaporation, the diffuse-interface (one-domain) formulation yields inaccurate results. Recent efforts approaching the problem via a sharp-interface (two-domain) formulation have shown significant improvements. The reasons behind their better performance are discussed in the present work. All available sharp-interface methods, however, exclusively employ the level-set. In the present work, we develop a sharp-interface evaporation model in a volume-of-fluid (VOF) framework in order to leverage its mass-conserving property as well as its ability to handle large topographical changes. We start with a critical review of the assumptions underlying the mathematical equations governing evaporation. For example, it is shown that the assumption of incompressibility can only be applied in special circumstances. The famous D2 law used for benchmarking is valid exclusively to steady-state test problems. Transient is present over significant lifetime of a micron-size droplet. Therefore, a 1D spherical fully transient model is developed to provide a benchmark transient solution. Finally, a 3D Cartesian Navier-Stokes evaporation solver is developed. Some preliminary validation test-cases are presented for static and moving drop evaporation. This material is based upon work supported by the Department of Energy, Office of Energy Efficiency and Renewable Energy and the Department of Defense, Tank and Automotive Research, Development, and Engineering Center, under Award Number DEEE0007292.
An entropic solver for ideal Lagrangian magnetohydrodynamics
International Nuclear Information System (INIS)
Bezard, F.; Despres, B.
1999-01-01
In this paper, the authors adapt to the ideal 1D lagrangian MHD equations a class of numerical schemes of order one in time and space presented in an earlier paper and applied to the gas dynamics system. They use some properties of systems of conservation laws with zero entropy flux which describe fluid models invariant by galilean transformation and reversible for regular solutions. These numerical schemes satisfy an entropy inequality under CFL conditions. In the last section, they describe a particular scheme for the MHD equations and show with some numerical applications its robustness and accuracy. The generalization to full Eulerian multidimensional MHD will be the subject of a forthcoming paper
Parallel preconditioning techniques for sparse CG solvers
Energy Technology Data Exchange (ETDEWEB)
Basermann, A.; Reichel, B.; Schelthoff, C. [Central Institute for Applied Mathematics, Juelich (Germany)
1996-12-31
Conjugate gradient (CG) methods to solve sparse systems of linear equations play an important role in numerical methods for solving discretized partial differential equations. The large size and the condition of many technical or physical applications in this area result in the need for efficient parallelization and preconditioning techniques of the CG method. In particular for very ill-conditioned matrices, sophisticated preconditioner are necessary to obtain both acceptable convergence and accuracy of CG. Here, we investigate variants of polynomial and incomplete Cholesky preconditioners that markedly reduce the iterations of the simply diagonally scaled CG and are shown to be well suited for massively parallel machines.
Introduction to COFFE: The Next-Generation HPCMP CREATE-AV CFD Solver
Glasby, Ryan S.; Erwin, J. Taylor; Stefanski, Douglas L.; Allmaras, Steven R.; Galbraith, Marshall C.; Anderson, W. Kyle; Nichols, Robert H.
2016-01-01
HPCMP CREATE-AV Conservative Field Finite Element (COFFE) is a modular, extensible, robust numerical solver for the Navier-Stokes equations that invokes modularity and extensibility from its first principles. COFFE implores a flexible, class-based hierarchy that provides a modular approach consisting of discretization, physics, parallelization, and linear algebra components. These components are developed with modern software engineering principles to ensure ease of uptake from a user's or developer's perspective. The Streamwise Upwind/Petrov-Galerkin (SU/PG) method is utilized to discretize the compressible Reynolds-Averaged Navier-Stokes (RANS) equations tightly coupled with a variety of turbulence models. The mathematics and the philosophy of the methodology that makes up COFFE are presented.
Cosmic-ray propagation with DRAGON2: I. numerical solver and astrophysical ingredients
Energy Technology Data Exchange (ETDEWEB)
Evoli, Carmelo [Gran Sasso Science Institute, viale Francesco Crispi 7, 67100 L' Aquila (AQ) (Italy); Gaggero, Daniele [GRAPPA Institute, University of Amsterdam, Science Park 904, 1090 GL Amsterdam (Netherlands); Vittino, Andrea [Physik-Department T30d, Technische Universität München, James-Franck-Straße 1, D-85748 Garching (Germany); Bernardo, Giuseppe Di [Max-Planck-Institut für Astrophysik, Karl-Schwarzschild-Straße 1, 85740 Garching bei München (Germany); Mauro, Mattia Di [W.W. Hansen Experimental Physics Laboratory, Kavli Institute for Particle Astrophysics and Cosmology, Department of Physics and SLAC National Accelerator Laboratory, Stanford University, Stanford, CA 94305 (United States); Ligorini, Arianna [Instytut Fizyki J\\cadrowej—PAN, ul. Radzikowskiego 152, 31-342 Kraków (Poland); Ullio, Piero [Scuola Internazionale di Studi Superiori Avanzati, via Bonomea 265, 34136 Trieste (Italy); Grasso, Dario, E-mail: carmelo.evoli@gssi.infn.it, E-mail: d.gaggero@uva.nl, E-mail: andrea.vittino@tum.de, E-mail: bernardo@mpa-garching.mpg.de, E-mail: mdimauro@slac.stanford.edu, E-mail: arianna.ligorini@ifj.edu.pl, E-mail: piero.ullio@sissa.it, E-mail: dario.grasso@pi.infn.it [INFN and Dipartimento di Fisica ' ' E. Fermi' ' , Pisa University, Largo B. Pontecorvo 3, I-56127 Pisa (Italy)
2017-02-01
We present version 2 of the DRAGON code designed for computing realistic predictions of the CR densities in the Galaxy. The code numerically solves the interstellar CR transport equation (including inhomogeneous and anisotropic diffusion, either in space and momentum, advective transport and energy losses), under realistic conditions. The new version includes an updated numerical solver and several models for the astrophysical ingredients involved in the transport equation. Improvements in the accuracy of the numerical solution are proved against analytical solutions and in reference diffusion scenarios. The novel features implemented in the code allow to simulate the diverse scenarios proposed to reproduce the most recent measurements of local and diffuse CR fluxes, going beyond the limitations of the homogeneous galactic transport paradigm. To this end, several applications using DRAGON2 are presented as well. This new version facilitates the users to include their own physical models by means of a modular C++ structure.
Navier-Stokes calculations on multi-element airfoils using a chimera-based solver
Jasper, Donald W.; Agrawal, Shreekant; Robinson, Brian A.
1993-01-01
A study of Navier-Stokes calculations of flows about multielement airfoils using a chimera grid approach is presented. The chimera approach utilizes structured, overlapped grids which allow great flexibility of grid arrangement and simplifies grid generation. Calculations are made for two-, three-, and four-element airfoils, and modeling of the effect of gap distance between elements is demonstrated for a two element case. Solutions are obtained using the thin-layer form of the Reynolds averaged Navier-Stokes equations with turbulence closure provided by the Baldwin-Lomax algebraic model or the Baldwin-Barth one equation model. The Baldwin-Barth turbulence model is shown to provide better agreement with experimental data and to dramatically improve convergence rates for some cases. Recently developed, improved farfield boundary conditions are incorporated into the solver for greater efficiency. Computed results show good comparison with experimental data which include aerodynamic forces, surface pressures, and boundary layer velocity profiles.
Development of a 2-D Simplified P3 FEM Solver for Arbitrary Geometry Applications
Energy Technology Data Exchange (ETDEWEB)
Ryu, Eun Hyun; Joo, Han Gyu [Seoul National University, Seoul (Korea, Republic of)
2010-10-15
In the calculation of power distributions and multiplication factors in a nuclear reactor, the Finite Difference Method (FDM) and the nodal methods are primarily used. These methods are, however, limited to particular geometries and lack general application involving arbitrary geometries. The Finite Element Method (FEM) can be employed for arbitrary geometry application and there are numerous FEM codes to solve the neutron diffusion equation or the Sn transport equation. The diffusion based FEM codes have the drawback of inferior accuracy while the Sn based ones require a considerable computing time. This work here is to seek a compromise between these two by employing the simplified P3 (SP3) method for arbitrary geometry applications. Sufficient accuracy with affordable computing time and resources would be achieved with this choice of approximate transport solution when compared to full FEM based Pn or Sn solutions. For now only 2-D solver is considered
Energy Technology Data Exchange (ETDEWEB)
Wang, Yaqi; Rabiti, Cristian; Palmiotti, Giuseppe, E-mail: yaqi.wang@inl.gov, E-mail: cristian.rabiti@inl.gov, E-mail: giuseppe.palmiotti@inl.gov [Idaho National Laboratory, Idaho Falls, ID (United States)
2011-07-01
This paper proposes a new set of Krylov solvers, CG and GMRes, as an alternative of the Red-Black (RB) algorithm on on solving the steady-state one-speed neutron transport equation discretized with PN in angle and hybrid FEM (Finite Element Method) in space. A pre conditioner with the low-order RB iteration is designed to improve their convergence. These Krylov solvers can reduce the cost of pre-assembling the response matrices greatly. Numerical results with the INSTANT code are presented in order to show that they can be a good supplement on solving the PN-HFEM system. (author)
International Nuclear Information System (INIS)
Wang, Yaqi; Rabiti, Cristian; Palmiotti, Giuseppe
2011-01-01
This paper proposes a new set of Krylov solvers, CG and GMRes, as an alternative of the Red-Black (RB) algorithm on on solving the steady-state one-speed neutron transport equation discretized with PN in angle and hybrid FEM (Finite Element Method) in space. A pre conditioner with the low-order RB iteration is designed to improve their convergence. These Krylov solvers can reduce the cost of pre-assembling the response matrices greatly. Numerical results with the INSTANT code are presented in order to show that they can be a good supplement on solving the PN-HFEM system. (author)
International Nuclear Information System (INIS)
Hofer, E.
1981-01-01
Simulations in thermo- and fluiddynamics often require the numerical solution of large initial value problems with stiffness caused by eigenvalues close to the imaginary axis. The regions of absolute stability of the most widely used ordinary differential equation (ODE) solvers, for stiff problems, do not properly account for this. The paper introduces a general purpose ODE-solver with considerably larger stability regions. Its reliability is illustrated by test problems, with complex eigenvalues, from a well known test package. Applications in large codes, for simulations in thermo- and fluiddynamics, demonstrate its practical usability. (orig.) [de
Ulku, Huseyin Arda; Bagci, Hakan; Michielssen, Eric
2013-01-01
An explicit marching on-in-time (MOT) scheme for solving the time-domain magnetic field integral equation (TD-MFIE) is presented. The proposed MOT-TD-MFIE solver uses Rao-Wilton-Glisson basis functions for spatial discretization and a PE(CE)m-type linear multistep method for time marching. Unlike previous explicit MOT-TD-MFIE solvers, the time step size can be chosen as large as that of the implicit MOT-TD-MFIE solvers without adversely affecting accuracy or stability. An algebraic stability analysis demonstrates the stability of the proposed explicit solver; its accuracy and efficiency are established via numerical examples. © 1963-2012 IEEE.
Ulku, Huseyin Arda
2013-08-01
An explicit marching on-in-time (MOT) scheme for solving the time-domain magnetic field integral equation (TD-MFIE) is presented. The proposed MOT-TD-MFIE solver uses Rao-Wilton-Glisson basis functions for spatial discretization and a PE(CE)m-type linear multistep method for time marching. Unlike previous explicit MOT-TD-MFIE solvers, the time step size can be chosen as large as that of the implicit MOT-TD-MFIE solvers without adversely affecting accuracy or stability. An algebraic stability analysis demonstrates the stability of the proposed explicit solver; its accuracy and efficiency are established via numerical examples. © 1963-2012 IEEE.
A second order discontinuous Galerkin fast sweeping method for Eikonal equations
Li, Fengyan; Shu, Chi-Wang; Zhang, Yong-Tao; Zhao, Hongkai
2008-09-01
In this paper, we construct a second order fast sweeping method with a discontinuous Galerkin (DG) local solver for computing viscosity solutions of a class of static Hamilton-Jacobi equations, namely the Eikonal equations. Our piecewise linear DG local solver is built on a DG method developed recently [Y. Cheng, C.-W. Shu, A discontinuous Galerkin finite element method for directly solving the Hamilton-Jacobi equations, Journal of Computational Physics 223 (2007) 398-415] for the time-dependent Hamilton-Jacobi equations. The causality property of Eikonal equations is incorporated into the design of this solver. The resulting local nonlinear system in the Gauss-Seidel iterations is a simple quadratic system and can be solved explicitly. The compactness of the DG method and the fast sweeping strategy lead to fast convergence of the new scheme for Eikonal equations. Extensive numerical examples verify efficiency, convergence and second order accuracy of the proposed method.
Womack, James C; Anton, Lucian; Dziedzic, Jacek; Hasnip, Phil J; Probert, Matt I J; Skylaris, Chris-Kriton
2018-03-13
The solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential-a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the Poisson equation, featuring nonhomogeneous dielectric permittivities, ionic concentrations with nonlinear dependencies, and diverse boundary conditions. The analytic solutions generally used to solve the Poisson equation in vacuum (or with homogeneous permittivity) are not applicable in these circumstances, and numerical methods must be used. In this work, we present DL_MG, a flexible, scalable, and accurate solver library, developed specifically to tackle the challenges of solving the Poisson equation in modern large-scale electronic structure calculations on parallel computers. Our solver is based on the multigrid approach and uses an iterative high-order defect correction method to improve the accuracy of solutions. Using two chemically relevant model systems, we tested the accuracy and computational performance of DL_MG when solving the generalized Poisson and Poisson-Boltzmann equations, demonstrating excellent agreement with analytic solutions and efficient scaling to ∼10 9 unknowns and 100s of CPU cores. We also applied DL_MG in actual large-scale electronic structure calculations, using the ONETEP linear-scaling electronic structure package to study a 2615 atom protein-ligand complex with routinely available computational resources. In these calculations, the overall execution time with DL_MG was not significantly greater than the time required for calculations using a conventional FFT-based solver.
Continuous-time quantum Monte Carlo impurity solvers
Gull, Emanuel; Werner, Philipp; Fuchs, Sebastian; Surer, Brigitte; Pruschke, Thomas; Troyer, Matthias
2011-04-01
Continuous-time quantum Monte Carlo impurity solvers are algorithms that sample the partition function of an impurity model using diagrammatic Monte Carlo techniques. The present paper describes codes that implement the interaction expansion algorithm originally developed by Rubtsov, Savkin, and Lichtenstein, as well as the hybridization expansion method developed by Werner, Millis, Troyer, et al. These impurity solvers are part of the ALPS-DMFT application package and are accompanied by an implementation of dynamical mean-field self-consistency equations for (single orbital single site) dynamical mean-field problems with arbitrary densities of states. Program summaryProgram title: dmft Catalogue identifier: AEIL_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEIL_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: ALPS LIBRARY LICENSE version 1.1 No. of lines in distributed program, including test data, etc.: 899 806 No. of bytes in distributed program, including test data, etc.: 32 153 916 Distribution format: tar.gz Programming language: C++ Operating system: The ALPS libraries have been tested on the following platforms and compilers: Linux with GNU Compiler Collection (g++ version 3.1 and higher), and Intel C++ Compiler (icc version 7.0 and higher) MacOS X with GNU Compiler (g++ Apple-version 3.1, 3.3 and 4.0) IBM AIX with Visual Age C++ (xlC version 6.0) and GNU (g++ version 3.1 and higher) compilers Compaq Tru64 UNIX with Compq C++ Compiler (cxx) SGI IRIX with MIPSpro C++ Compiler (CC) HP-UX with HP C++ Compiler (aCC) Windows with Cygwin or coLinux platforms and GNU Compiler Collection (g++ version 3.1 and higher) RAM: 10 MB-1 GB Classification: 7.3 External routines: ALPS [1], BLAS/LAPACK, HDF5 Nature of problem: (See [2].) Quantum impurity models describe an atom or molecule embedded in a host material with which it can exchange electrons. They are basic to nanoscience as
Deploy production sliding mesh capability with linear solver benchmarking.
Energy Technology Data Exchange (ETDEWEB)
Domino, Stefan P. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Thomas, Stephen [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Barone, Matthew F. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Williams, Alan B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Ananthan, Shreyas [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Knaus, Robert C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Overfelt, James [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sprague, Mike [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Rood, Jon [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2018-02-01
overall simulation time when using the full Tpetra solver stack and nearly 35% when using a mixed Tpetra- Hypre-based solver stack. The report also highlights the project achievement of surpassing the 1 billion element mesh scale for a production V27 hybrid mesh. A detailed timing breakdown is presented that again suggests work to be done in the setup events associated with the linear system. In order to mitigate these initialization costs, several application paths have been explored, all of which are designed to reduce the frequency of matrix reinitialization. Methods such as removing Jacobian entries on the dynamic matrix columns (in concert with increased inner equation iterations), and lagging of Jacobian entries have reduced setup times at the cost of numerical stability. Artificially increasing, or bloating, the matrix stencil to ensure that full Jacobians are included is developed with results suggesting that this methodology is useful in decreasing reinitialization events without loss of matrix contributions. With the above foundational advances in computational capability, the project is well positioned to begin scientific inquiry on a variety of wind-farm physics such as turbine/turbine wake interactions.
DEFF Research Database (Denmark)
2009-01-01
A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises.......A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises....
Preconditioned conjugate gradient methods for the Navier-Stokes equations
Ajmani, Kumud; Ng, Wing-Fai; Liou, Meng-Sing
1994-01-01
A preconditioned Krylov subspace method (GMRES) is used to solve the linear systems of equations formed at each time-integration step of the unsteady, two-dimensional, compressible Navier-Stokes equations of fluid flow. The Navier-Stokes equations are cast in an implicit, upwind finite-volume, flux-split formulation. Several preconditioning techniques are investigated to enhance the efficiency and convergence rate of the implicit solver based on the GMRES algorithm. The superiority of the new solver is established by comparisons with a conventional implicit solver, namely line Gauss-Seidel relaxation (LGSR). Computational test results for low-speed (incompressible flow over a backward-facing step at Mach 0.1), transonic flow (trailing edge flow in a transonic turbine cascade), and hypersonic flow (shock-on-shock interactions on a cylindrical leading edge at Mach 6.0) are presented. For the Mach 0.1 case, overall speedup factors of up to 17 (in terms of time-steps) and 15 (in terms of CPU time on a CRAY-YMP/8) are found in favor of the preconditioned GMRES solver, when compared with the LGSR solver. The corresponding speedup factors for the transonic flow case are 17 and 23, respectively. The hypersonic flow case shows slightly lower speedup factors of 9 and 13, respectively. The study of preconditioners conducted in this research reveals that a new LUSGS-type preconditioner is much more efficient than a conventional incomplete LU-type preconditioner.
BCYCLIC: A parallel block tridiagonal matrix cyclic solver
Hirshman, S. P.; Perumalla, K. S.; Lynch, V. E.; Sanchez, R.
2010-09-01
A block tridiagonal matrix is factored with minimal fill-in using a cyclic reduction algorithm that is easily parallelized. Storage of the factored blocks allows the application of the inverse to multiple right-hand sides which may not be known at factorization time. Scalability with the number of block rows is achieved with cyclic reduction, while scalability with the block size is achieved using multithreaded routines (OpenMP, GotoBLAS) for block matrix manipulation. This dual scalability is a noteworthy feature of this new solver, as well as its ability to efficiently handle arbitrary (non-powers-of-2) block row and processor numbers. Comparison with a state-of-the art parallel sparse solver is presented. It is expected that this new solver will allow many physical applications to optimally use the parallel resources on current supercomputers. Example usage of the solver in magneto-hydrodynamic (MHD), three-dimensional equilibrium solvers for high-temperature fusion plasmas is cited.
Local instant conservation equations
International Nuclear Information System (INIS)
Delaje, Dzh.
1984-01-01
Local instant conservation equations for two-phase flow are derived. Derivation of the equation starts from the recording of integral laws of conservation for a fixed reference volume, containing both phases. Transformation of the laws, using the Leibniz rule and Gauss theory permits to obtain the sum of two integrals as to the volume and integral as to the surface. Integrals as to the volume result in local instant differential equations, in particular derivatives for each phase, and integrals as to the surface reflect local instant conditions of a jump on interface surface
Woźniak, M.
2016-06-02
We study the features of a new mixed integration scheme dedicated to solving the non-stationary variational problems. The scheme is composed of the FEM approximation with respect to the space variable coupled with a 3-leveled time integration scheme with a linearized right-hand side operator. It was applied in solving the Cahn-Hilliard parabolic equation with a nonlinear, fourth-order elliptic part. The second order of the approximation along the time variable was proven. Moreover, the good scalability of the software based on this scheme was confirmed during simulations. We verify the proposed time integration scheme by monitoring the Ginzburg-Landau free energy. The numerical simulations are performed by using a parallel multi-frontal direct solver executed over STAMPEDE Linux cluster. Its scalability was compared to the results of the three direct solvers, including MUMPS, SuperLU and PaSTiX.
DEFF Research Database (Denmark)
Amini Afshar, Mostafa; Bingham, Harry B.; Read, Robert
During recent years a computational strategy has been developed at the Technical University of Denmark for numerical simulation of water wave problems based on the high-order nite-dierence method, [2],[4]. These methods exhibit a linear scaling of the computational eort as the number of grid points...... increases. This understanding is being applied to develop a tool for predicting the added resistance (drift force) of ships in ocean waves. We expect that the optimal scaling properties of this solver will allow us to make a convincing demonstration of convergence of the added resistance calculations based...... on both near-eld and far-eld methods. The solver has been written inside a C++ library known as Overture [3], which can be used to solve partial dierential equations on overlapping grids based on the high-order nite-dierence method. The resulting code is able to solve, in the time domain, the linearised...
Scalable multi-grid preconditioning techniques for the even-parity S_N solver in UNIC
International Nuclear Information System (INIS)
Mahadevan, Vijay S.; Smith, Michael A.
2011-01-01
The Even-parity neutron transport equation with FE-S_N discretization is solved traditionally using SOR preconditioned CG method at the lowest level of iterations in order to compute the criticality in reactor analysis problems. The use of high order isoparametric finite elements prohibits the formation of the discrete operator explicitly due to memory constraints in peta scale architectures. Hence, a h-p multi-grid preconditioner based on linear tessellation of the higher order mesh is introduced here for the space-angle system and compared against SOR and Algebraic MG black-box solvers. The performance and scalability of the multi-grid scheme was determined for two test problems and found to be competitive in terms of both computational time and memory requirements. The implementation of this preconditioner in an even-parity solver like UNIC from ANL can further enable high fidelity calculations in a scalable manner on peta flop machines. (author)
Riemann solvers for multi-component gas mixtures with temperature dependent heat capacities
International Nuclear Information System (INIS)
Beccantini, A.
2001-01-01
This thesis represents a contribution to the development of upwind splitting schemes for the Euler equations for ideal gaseous mixtures and their investigation in computing multidimensional flows in irregular geometries. In the preliminary part we develop and investigate the parameterization of the shock and rarefaction curves in the phase space. Then, we apply them to perform some field-by-field decompositions of the Riemann problem: the entropy-respecting one, the one which supposes that genuinely-non-linear (GNL) waves are both shocks (shock-shock one) and the one which supposes that GNL waves are both rarefactions (rarefaction-rarefaction one). We emphasize that their analysis is fundamental in Riemann solvers developing: the simpler the field-by-field decomposition, the simpler the Riemann solver based on it. As the specific heat capacities of the gases depend on the temperature, the shock-shock field-by-field decomposition is the easiest to perform. Then, in the second part of the thesis, we develop an upwind splitting scheme based on such decomposition. Afterwards, we investigate its robustness, precision and CPU-time consumption, with respect to some of the most popular upwind splitting schemes for polytropic/non-polytropic ideal gases. 1-D test-cases show that this scheme is both precise (exact capturing of stationary shock and stationary contact) and robust in dealing with strong shock and rarefaction waves. Multidimensional test-cases show that it suffers from some of the typical deficiencies which affect the upwind splitting schemes capable of exact capturing stationary contact discontinuities i.e the developing of non-physical instabilities in computing strong shock waves. In the final part, we use the high-order multidimensional solver here developed to compute fully-developed detonation flows. (author)
Reimer, Ashton S.; Cheviakov, Alexei F.
2013-03-01
A Matlab-based finite-difference numerical solver for the Poisson equation for a rectangle and a disk in two dimensions, and a spherical domain in three dimensions, is presented. The solver is optimized for handling an arbitrary combination of Dirichlet and Neumann boundary conditions, and allows for full user control of mesh refinement. The solver routines utilize effective and parallelized sparse vector and matrix operations. Computations exhibit high speeds, numerical stability with respect to mesh size and mesh refinement, and acceptable error values even on desktop computers. Catalogue identifier: AENQ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AENQ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License v3.0 No. of lines in distributed program, including test data, etc.: 102793 No. of bytes in distributed program, including test data, etc.: 369378 Distribution format: tar.gz Programming language: Matlab 2010a. Computer: PC, Macintosh. Operating system: Windows, OSX, Linux. RAM: 8 GB (8, 589, 934, 592 bytes) Classification: 4.3. Nature of problem: To solve the Poisson problem in a standard domain with “patchy surface”-type (strongly heterogeneous) Neumann/Dirichlet boundary conditions. Solution method: Finite difference with mesh refinement. Restrictions: Spherical domain in 3D; rectangular domain or a disk in 2D. Unusual features: Choice between mldivide/iterative solver for the solution of large system of linear algebraic equations that arise. Full user control of Neumann/Dirichlet boundary conditions and mesh refinement. Running time: Depending on the number of points taken and the geometry of the domain, the routine may take from less than a second to several hours to execute.
Advanced Algebraic Multigrid Solvers for Subsurface Flow Simulation
Chen, Meng-Huo
2015-09-13
In this research we are particularly interested in extending the robustness of multigrid solvers to encounter complex systems related to subsurface reservoir applications for flow problems in porous media. In many cases, the step for solving the pressure filed in subsurface flow simulation becomes a bottleneck for the performance of the simulator. For solving large sparse linear system arising from MPFA discretization, we choose multigrid methods as the linear solver. The possible difficulties and issues will be addressed and the corresponding remedies will be studied. As the multigrid methods are used as the linear solver, the simulator can be parallelized (although not trivial) and the high-resolution simulation become feasible, the ultimately goal which we desire to achieve.
Integrating Problem Solvers from Analogous Markets in New Product Ideation
DEFF Research Database (Denmark)
Franke, Nikolaus; Poetz, Marion; Schreier, Martin
2014-01-01
Who provides better inputs to new product ideation tasks, problem solvers with expertise in the area for which new products are to be developed or problem solvers from “analogous” markets that are distant but share an analogous problem or need? Conventional wisdom appears to suggest that target...... market expertise is indispensable, which is why most managers searching for new ideas tend to stay within their own market context even when they do search outside their firms' boundaries. However, in a unique symmetric experiment that isolates the effect of market origin, we find evidence...... for the opposite: Although solutions provided by problem solvers from analogous markets show lower potential for immediate use, they demonstrate substantially higher levels of novelty. Also, compared to established novelty drivers, this effect appears highly relevant from a managerial perspective: we find...
An efficient spectral crystal plasticity solver for GPU architectures
Malahe, Michael
2018-03-01
We present a spectral crystal plasticity (CP) solver for graphics processing unit (GPU) architectures that achieves a tenfold increase in efficiency over prior GPU solvers. The approach makes use of a database containing a spectral decomposition of CP simulations performed using a conventional iterative solver over a parameter space of crystal orientations and applied velocity gradients. The key improvements in efficiency come from reducing global memory transactions, exposing more instruction-level parallelism, reducing integer instructions and performing fast range reductions on trigonometric arguments. The scheme also makes more efficient use of memory than prior work, allowing for larger problems to be solved on a single GPU. We illustrate these improvements with a simulation of 390 million crystal grains on a consumer-grade GPU, which executes at a rate of 2.72 s per strain step.
Fast Solvers for Dense Linear Systems
Energy Technology Data Exchange (ETDEWEB)
Kauers, Manuel [Research Institute for Symbolic Computation (RISC), Altenbergerstrasse 69, A4040 Linz (Austria)
2008-10-15
It appears that large scale calculations in particle physics often require to solve systems of linear equations with rational number coefficients exactly. If classical Gaussian elimination is applied to a dense system, the time needed to solve such a system grows exponentially in the size of the system. In this tutorial paper, we present a standard technique from computer algebra that avoids this exponential growth: homomorphic images. Using this technique, big dense linear systems can be solved in a much more reasonable time than using Gaussian elimination over the rationals.
On Cafesat: A Modern SAT Solver for Scala
Blanc, Régis William
2013-01-01
We present CafeSat, a SAT solver written in the Scala programming language. CafeSat is a modern solver based on DPLL and featuring many state-of-the-art techniques and heuristics. It uses two-watched literals for Boolean constraint propagation, conflict-driven learning along with clause deletion, a restarting strategy, and the VSIDS heuristics for choosing the branching literal. CafeSat is both sound and complete. In order to achieve reasonnable performances, low level and hand-tuned data ...
LAPACKrc: Fast linear algebra kernels/solvers for FPGA accelerators
International Nuclear Information System (INIS)
Gonzalez, Juan; Nunez, Rafael C
2009-01-01
We present LAPACKrc, a family of FPGA-based linear algebra solvers able to achieve more than 100x speedup per commodity processor on certain problems. LAPACKrc subsumes some of the LAPACK and ScaLAPACK functionalities, and it also incorporates sparse direct and iterative matrix solvers. Current LAPACKrc prototypes demonstrate between 40x-150x speedup compared against top-of-the-line hardware/software systems. A technology roadmap is in place to validate current performance of LAPACKrc in HPC applications, and to increase the computational throughput by factors of hundreds within the next few years.
Angelidis, Dionysios; Chawdhary, Saurabh; Sotiropoulos, Fotis
2016-11-01
A novel numerical method is developed for solving the 3D, unsteady, incompressible Navier-Stokes equations on locally refined fully unstructured Cartesian grids in domains with arbitrarily complex immersed boundaries. Owing to the utilization of the fractional step method on an unstructured Cartesian hybrid staggered/non-staggered grid layout, flux mismatch and pressure discontinuity issues are avoided and the divergence free constraint is inherently satisfied to machine zero. Auxiliary/hanging nodes are used to facilitate the discretization of the governing equations. The second-order accuracy of the solver is ensured by using multi-dimension Lagrange interpolation operators and appropriate differencing schemes at the interface of regions with different levels of refinement. The sharp interface immersed boundary method is augmented with local near-boundary refinement to handle arbitrarily complex boundaries. The discrete momentum equation is solved with the matrix free Newton-Krylov method and the Krylov-subspace method is employed to solve the Poisson equation. The second-order accuracy of the proposed method on unstructured Cartesian grids is demonstrated by solving the Poisson equation with a known analytical solution. A number of three-dimensional laminar flow simulations of increasing complexity illustrate the ability of the method to handle flows across a range of Reynolds numbers and flow regimes. Laminar steady and unsteady flows past a sphere and the oblique vortex shedding from a circular cylinder mounted between two end walls demonstrate the accuracy, the efficiency and the smooth transition of scales and coherent structures across refinement levels. Large-eddy simulation (LES) past a miniature wind turbine rotor, parameterized using the actuator line approach, indicates the ability of the fully unstructured solver to simulate complex turbulent flows. Finally, a geometry resolving LES of turbulent flow past a complete hydrokinetic turbine illustrates
Mang, Andreas; Biros, George
2017-01-01
We propose an efficient numerical algorithm for the solution of diffeomorphic image registration problems. We use a variational formulation constrained by a partial differential equation (PDE), where the constraints are a scalar transport equation. We use a pseudospectral discretization in space and second-order accurate semi-Lagrangian time stepping scheme for the transport equations. We solve for a stationary velocity field using a preconditioned, globalized, matrix-free Newton-Krylov scheme. We propose and test a two-level Hessian preconditioner. We consider two strategies for inverting the preconditioner on the coarse grid: a nested preconditioned conjugate gradient method (exact solve) and a nested Chebyshev iterative method (inexact solve) with a fixed number of iterations. We test the performance of our solver in different synthetic and real-world two-dimensional application scenarios. We study grid convergence and computational efficiency of our new scheme. We compare the performance of our solver against our initial implementation that uses the same spatial discretization but a standard, explicit, second-order Runge-Kutta scheme for the numerical time integration of the transport equations and a single-level preconditioner. Our improved scheme delivers significant speedups over our original implementation. As a highlight, we observe a 20 × speedup for a two dimensional, real world multi-subject medical image registration problem.
Approximate Riemann solvers and flux vector splitting schemes for two-phase flow
International Nuclear Information System (INIS)
Toumi, I.; Kumbaro, A.; Paillere, H.
1999-01-01
These course notes, presented at the 30. Von Karman Institute Lecture Series in Computational Fluid Dynamics, give a detailed and through review of upwind differencing methods for two-phase flow models. After recalling some fundamental aspects of two-phase flow modelling, from mixture model to two-fluid models, the mathematical properties of the general 6-equation model are analysed by examining the Eigen-structure of the system, and deriving conditions under which the model can be made hyperbolic. The following chapters are devoted to extensions of state-of-the-art upwind differencing schemes such as Roe's Approximate Riemann Solver or the Characteristic Flux Splitting method to two-phase flow. Non-trivial steps in the construction of such solvers include the linearization, the treatment of non-conservative terms and the construction of a Roe-type matrix on which the numerical dissipation of the schemes is based. Extension of the 1-D models to multi-dimensions in an unstructured finite volume formulation is also described; Finally, numerical results for a variety of test-cases are shown to illustrate the accuracy and robustness of the methods. (authors)
Effective high-order solver with thermally perfect gas model for hypersonic heating prediction
International Nuclear Information System (INIS)
Jiang, Zhenhua; Yan, Chao; Yu, Jian; Qu, Feng; Ma, Libin
2016-01-01
Highlights: • Design proper numerical flux for thermally perfect gas. • Line-implicit LUSGS enhances efficiency without extra memory consumption. • Develop unified framework for both second-order MUSCL and fifth-order WENO. • The designed gas model can be applied to much wider temperature range. - Abstract: Effective high-order solver based on the model of thermally perfect gas has been developed for hypersonic heat transfer computation. The technique of polynomial curve fit coupling to thermodynamics equation is suggested to establish the current model and particular attention has been paid to the design of proper numerical flux for thermally perfect gas. We present procedures that unify five-order WENO (Weighted Essentially Non-Oscillatory) scheme in the existing second-order finite volume framework and a line-implicit method that improves the computational efficiency without increasing memory consumption. A variety of hypersonic viscous flows are performed to examine the capability of the resulted high order thermally perfect gas solver. Numerical results demonstrate its superior performance compared to low-order calorically perfect gas method and indicate its potential application to hypersonic heating predictions for real-life problem.
MPI to Coarray Fortran: Experiences with a CFD Solver for Unstructured Meshes
Directory of Open Access Journals (Sweden)
Anuj Sharma
2017-01-01
Full Text Available High-resolution numerical methods and unstructured meshes are required in many applications of Computational Fluid Dynamics (CFD. These methods are quite computationally expensive and hence benefit from being parallelized. Message Passing Interface (MPI has been utilized traditionally as a parallelization strategy. However, the inherent complexity of MPI contributes further to the existing complexity of the CFD scientific codes. The Partitioned Global Address Space (PGAS parallelization paradigm was introduced in an attempt to improve the clarity of the parallel implementation. We present our experiences of converting an unstructured high-resolution compressible Navier-Stokes CFD solver from MPI to PGAS Coarray Fortran. We present the challenges, methodology, and performance measurements of our approach using Coarray Fortran. With the Cray compiler, we observe Coarray Fortran as a viable alternative to MPI. We are hopeful that Intel and open-source implementations could be utilized in the future.
High-resolution coupled physics solvers for analysing fine-scale nuclear reactor design problems
Mahadevan, Vijay S.; Merzari, Elia; Tautges, Timothy; Jain, Rajeev; Obabko, Aleksandr; Smith, Michael; Fischer, Paul
2014-01-01
An integrated multi-physics simulation capability for the design and analysis of current and future nuclear reactor models is being investigated, to tightly couple neutron transport and thermal-hydraulics physics under the SHARP framework. Over several years, high-fidelity, validated mono-physics solvers with proven scalability on petascale architectures have been developed independently. Based on a unified component-based architecture, these existing codes can be coupled with a mesh-data backplane and a flexible coupling-strategy-based driver suite to produce a viable tool for analysts. The goal of the SHARP framework is to perform fully resolved coupled physics analysis of a reactor on heterogeneous geometry, in order to reduce the overall numerical uncertainty while leveraging available computational resources. The coupling methodology and software interfaces of the framework are presented, along with verification studies on two representative fast sodium-cooled reactor demonstration problems to prove the usability of the SHARP framework. PMID:24982250
PetClaw: A scalable parallel nonlinear wave propagation solver for Python
Alghamdi, Amal; Ahmadia, Aron; Ketcheson, David I.; Knepley, Matthew; Mandli, Kyle; Dalcin, Lisandro
2011-01-01
We present PetClaw, a scalable distributed-memory solver for time-dependent nonlinear wave propagation. PetClaw unifies two well-known scientific computing packages, Clawpack and PETSc, using Python interfaces into both. We rely on Clawpack to provide the infrastructure and kernels for time-dependent nonlinear wave propagation. Similarly, we rely on PETSc to manage distributed data arrays and the communication between them.We describe both the implementation and performance of PetClaw as well as our challenges and accomplishments in scaling a Python-based code to tens of thousands of cores on the BlueGene/P architecture. The capabilities of PetClaw are demonstrated through application to a novel problem involving elastic waves in a heterogeneous medium. Very finely resolved simulations are used to demonstrate the suppression of shock formation in this system.
Harvey, Jason; Moore, Michael
2013-01-01
The General-Use Nodal Network Solver (GUNNS) is a modeling software package that combines nodal analysis and the hydraulic-electric analogy to simulate fluid, electrical, and thermal flow systems. GUNNS is developed by L-3 Communications under the TS21 (Training Systems for the 21st Century) project for NASA Johnson Space Center (JSC), primarily for use in space vehicle training simulators at JSC. It has sufficient compactness and fidelity to model the fluid, electrical, and thermal aspects of space vehicles in real-time simulations running on commodity workstations, for vehicle crew and flight controller training. It has a reusable and flexible component and system design, and a Graphical User Interface (GUI), providing capability for rapid GUI-based simulator development, ease of maintenance, and associated cost savings. GUNNS is optimized for NASA's Trick simulation environment, but can be run independently of Trick.
Energy Technology Data Exchange (ETDEWEB)
Lozano, Juan Andres; Aragones, Jose Maria; Garcia-Herranz, Nuria [Universidad Politecnica de Madrid, 28006 Jose Gutierrez Abascal 2, Madrid (Spain)
2008-07-01
More accurate modelling of physical phenomena involved in present and future nuclear reactors requires a multi-scale and multi-physics approach. This challenge can be accomplished by the coupling of best-estimate core-physics, thermal-hydraulics and multi-physics solvers. In order to make viable that coupling, the current trends in reactor simulations are along the development of a new generation of tools based on user-friendly, modular, easily linkable, faster and more accurate codes to be integrated in common platforms. These premises are in the origin of the NURESIM Integrated Project within the 6. European Framework Program, which is envisaged to provide the initial step towards a Common European Standard Software Platform for nuclear reactors simulations. In the frame of this project and to reach the above-mentioned goals, a 3-D multigroup nodal solver for neutron diffusion calculations called ANDES (Analytic Nodal Diffusion Equation Solver) has been developed and tested in-depth in this Thesis. ANDES solves the steady-state and time-dependent neutron diffusion equation in three-dimensions and any number of energy groups, utilizing the Analytic Coarse-Mesh Finite-Difference (ACMFD) scheme to yield the nodal coupling equations. It can be applied to both Cartesian and triangular-Z geometries, so that simulations of LWR as well as VVER, HTR and fast reactors can be performed. The solver has been implemented in a fully encapsulated way, enabling it as a module to be readily integrated in other codes and platforms. In fact, it can be used either as a stand-alone nodal code or as a solver to accelerate the convergence of whole core pin-by-pin code systems. Verification of performance has shown that ANDES is a code with high order definition for whole core realistic nodal simulations. In this paper, the methodology developed and involved in ANDES is presented. (authors)
Fast isogeometric solvers for explicit dynamics
Gao, Longfei
2014-06-01
In finite element analysis, solving time-dependent partial differential equations with explicit time marching schemes requires repeatedly applying the inverse of the mass matrix. For mass matrices that can be expressed as tensor products of lower dimensional matrices, we present a direct method that has linear computational complexity, i.e., O(N), where N is the total number of degrees of freedom in the system. We refer to these matrices as separable matrices. For non-separable mass matrices, we present a preconditioned conjugate gradient method with carefully designed preconditioners as an alternative. We demonstrate that these preconditioners, which are easy to construct and cheap to apply (O(N)), can deliver significant convergence acceleration. The performances of these preconditioners are independent of the polynomial order (p independence) and mesh resolution (h independence) for maximum continuity B-splines, as verified by various numerical tests. © 2014 Elsevier B.V.
Zapata, M. A. Uh; Van Bang, D. Pham; Nguyen, K. D.
2016-05-01
This paper presents a parallel algorithm for the finite-volume discretisation of the Poisson equation on three-dimensional arbitrary geometries. The proposed method is formulated by using a 2D horizontal block domain decomposition and interprocessor data communication techniques with message passing interface. The horizontal unstructured-grid cells are reordered according to the neighbouring relations and decomposed into blocks using a load-balanced distribution to give all processors an equal amount of elements. In this algorithm, two parallel successive over-relaxation methods are presented: a multi-colour ordering technique for unstructured grids based on distributed memory and a block method using reordering index following similar ideas of the partitioning for structured grids. In all cases, the parallel algorithms are implemented with a combination of an acceleration iterative solver. This solver is based on a parabolic-diffusion equation introduced to obtain faster solutions of the linear systems arising from the discretisation. Numerical results are given to evaluate the performances of the methods showing speedups better than linear.
Using a satisfiability solver to identify deterministic finite state automata
Heule, M.J.H.; Verwer, S.
2009-01-01
We present an exact algorithm for identification of deterministic finite automata (DFA) which is based on satisfiability (SAT) solvers. Despite the size of the low level SAT representation, our approach seems to be competitive with alternative techniques. Our contributions are threefold: First, we
Fast Multipole-Based Elliptic PDE Solver and Preconditioner
Ibeid, Huda
2016-01-01
extrapolated scalability. Fast multipole methods (FMM) were originally developed for accelerating N-body problems for particle-based methods in astrophysics and molecular dynamics. FMM is more than an N-body solver, however. Recent efforts to view the FMM
Implementation and testing of a multivariate inverse radiation transport solver
International Nuclear Information System (INIS)
Mattingly, John; Mitchell, Dean J.
2012-01-01
Detection, identification, and characterization of special nuclear materials (SNM) all face the same basic challenge: to varying degrees, each must infer the presence, composition, and configuration of the SNM by analyzing a set of measured radiation signatures. Solutions to this problem implement inverse radiation transport methods. Given a set of measured radiation signatures, inverse radiation transport estimates properties of the source terms and transport media that are consistent with those signatures. This paper describes one implementation of a multivariate inverse radiation transport solver. The solver simultaneously analyzes gamma spectrometry and neutron multiplicity measurements to fit a one-dimensional radiation transport model with variable layer thicknesses using nonlinear regression. The solver's essential components are described, and its performance is illustrated by application to benchmark experiments conducted with plutonium metal. - Highlights: ► Inverse problems, specifically applied to identifying and characterizing radiation sources . ► Radiation transport. ► Analysis of gamma spectroscopy and neutron multiplicity counting measurements. ► Experimental testing of the inverse solver against measurements of plutonium.
A High Performance QDWH-SVD Solver using Hardware Accelerators
Sukkari, Dalal E.; Ltaief, Hatem; Keyes, David E.
2015-01-01
few digits of accuracy, compared to the full double precision floating point arithmetic. We further leverage the single GPU QDWH-SVD implementation by introducing the first multi-GPU SVD solver to study the scalability of the QDWH-SVD framework.
Hypersonic simulations using open-source CFD and DSMC solvers
Casseau, V.; Scanlon, T. J.; John, B.; Emerson, D. R.; Brown, R. E.
2016-11-01
Hypersonic hybrid hydrodynamic-molecular gas flow solvers are required to satisfy the two essential requirements of any high-speed reacting code, these being physical accuracy and computational efficiency. The James Weir Fluids Laboratory at the University of Strathclyde is currently developing an open-source hybrid code which will eventually reconcile the direct simulation Monte-Carlo method, making use of the OpenFOAM application called dsmcFoam, and the newly coded open-source two-temperature computational fluid dynamics solver named hy2Foam. In conjunction with employing the CVDV chemistry-vibration model in hy2Foam, novel use is made of the QK rates in a CFD solver. In this paper, further testing is performed, in particular with the CFD solver, to ensure its efficacy before considering more advanced test cases. The hy2Foam and dsmcFoam codes have shown to compare reasonably well, thus providing a useful basis for other codes to compare against.
SolveDB: Integrating Optimization Problem Solvers Into SQL Databases
DEFF Research Database (Denmark)
Siksnys, Laurynas; Pedersen, Torben Bach
2016-01-01
for optimization problems, (2) an extensible infrastructure for integrating different solvers, and (3) query optimization techniques to achieve the best execution performance and/or result quality. Extensive experiments with the PostgreSQL-based implementation show that SolveDB is a versatile tool offering much...
A Parallel Algebraic Multigrid Solver on Graphics Processing Units
Haase, Gundolf; Liebmann, Manfred; Douglas, Craig C.; Plank, Gernot
2010-01-01
-vector multiplication scheme underlying the PCG-AMG algorithm is presented for the many-core GPU architecture. A performance comparison of the parallel solver shows that a singe Nvidia Tesla C1060 GPU board delivers the performance of a sixteen node Infiniband cluster
Parallel Solver for H(div) Problems Using Hybridization and AMG
Energy Technology Data Exchange (ETDEWEB)
Lee, Chak S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Vassilevski, Panayot S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2016-01-15
In this paper, a scalable parallel solver is proposed for H(div) problems discretized by arbitrary order finite elements on general unstructured meshes. The solver is based on hybridization and algebraic multigrid (AMG). Unlike some previously studied H(div) solvers, the hybridization solver does not require discrete curl and gradient operators as additional input from the user. Instead, only some element information is needed in the construction of the solver. The hybridization results in a H1-equivalent symmetric positive definite system, which is then rescaled and solved by AMG solvers designed for H1 problems. Weak and strong scaling of the method are examined through several numerical tests. Our numerical results show that the proposed solver provides a promising alternative to ADS, a state-of-the-art solver [12], for H(div) problems. In fact, it outperforms ADS for higher order elements.
Solving the Fluid Pressure Poisson Equation Using Multigrid-Evaluation and Improvements.
Dick, Christian; Rogowsky, Marcus; Westermann, Rudiger
2016-11-01
In many numerical simulations of fluids governed by the incompressible Navier-Stokes equations, the pressure Poisson equation needs to be solved to enforce mass conservation. Multigrid solvers show excellent convergence in simple scenarios, yet they can converge slowly in domains where physically separated regions are combined at coarser scales. Moreover, existing multigrid solvers are tailored to specific discretizations of the pressure Poisson equation, and they cannot easily be adapted to other discretizations. In this paper we analyze the convergence properties of existing multigrid solvers for the pressure Poisson equation in different simulation domains, and we show how to further improve the multigrid convergence rate by using a graph-based extension to determine the coarse grid hierarchy. The proposed multigrid solver is generic in that it can be applied to different kinds of discretizations of the pressure Poisson equation, by using solely the specification of the simulation domain and pre-assembled computational stencils. We analyze the proposed solver in combination with finite difference and finite volume discretizations of the pressure Poisson equation. Our evaluations show that, despite the common assumption, multigrid schemes can exploit their potential even in the most complicated simulation scenarios, yet this behavior is obtained at the price of higher memory consumption.
A ghost fluid method for sharp interface simulations of compressible multiphase flows
International Nuclear Information System (INIS)
Majidi, Sahand; Afshari, Asghar
2016-01-01
A ghost fluid based computational tool is developed to study a wide range of compressible multiphase flows involving strong shocks and contact discontinuities while accounting for surface tension, viscous stresses and gravitational forces. The solver utilizes constrained reinitialization method to predict the interface configuration at each time step. Surface tension effect is handled via an exact interface Riemann problem solver. Interfacial viscous stresses are approximated by considering continuous velocity and viscous stress across the interface. To assess the performance of the solver several benchmark problems are considered: One-dimensional gas-water shock tube problem, shock-bubble interaction, air cavity collapse in water, underwater explosion, Rayleigh-Taylor Instability, and ellipsoidal drop oscillations. Results obtained from the numerical simulations indicate that the numerical methodology performs reasonably well in predicting flow features and exhibit a very good agreement with prior experimental and numerical observations. To further examine the accuracy of the developed ghost fluid solver, the obtained results are compared to those by a conventional diffuse interface solver. The comparison shows the capability of our ghost fluid method in reproducing the experimentally observed flow characteristics while revealing more details regarding topological changes of the interface.
A ghost fluid method for sharp interface simulations of compressible multiphase flows
Energy Technology Data Exchange (ETDEWEB)
Majidi, Sahand; Afshari, Asghar [University of Tehran, Teheran (Iran, Islamic Republic of)
2016-04-15
A ghost fluid based computational tool is developed to study a wide range of compressible multiphase flows involving strong shocks and contact discontinuities while accounting for surface tension, viscous stresses and gravitational forces. The solver utilizes constrained reinitialization method to predict the interface configuration at each time step. Surface tension effect is handled via an exact interface Riemann problem solver. Interfacial viscous stresses are approximated by considering continuous velocity and viscous stress across the interface. To assess the performance of the solver several benchmark problems are considered: One-dimensional gas-water shock tube problem, shock-bubble interaction, air cavity collapse in water, underwater explosion, Rayleigh-Taylor Instability, and ellipsoidal drop oscillations. Results obtained from the numerical simulations indicate that the numerical methodology performs reasonably well in predicting flow features and exhibit a very good agreement with prior experimental and numerical observations. To further examine the accuracy of the developed ghost fluid solver, the obtained results are compared to those by a conventional diffuse interface solver. The comparison shows the capability of our ghost fluid method in reproducing the experimentally observed flow characteristics while revealing more details regarding topological changes of the interface.
Generalized conjugate-gradient methods for the Navier-Stokes equations
Ajmani, Kumud; Ng, Wing-Fai; Liou, Meng-Sing
1991-01-01
A generalized conjugate-gradient method is used to solve the two-dimensional, compressible Navier-Stokes equations of fluid flow. The equations are discretized with an implicit, upwind finite-volume formulation. Preconditioning techniques are incorporated into the new solver to accelerate convergence of the overall iterative method. The superiority of the new solver is demonstrated by comparisons with a conventional line Gauss-Siedel Relaxation solver. Computational test results for transonic flow (trailing edge flow in a transonic turbine cascade) and hypersonic flow (M = 6.0 shock-on-shock phenoena on a cylindrical leading edge) are presented. When applied to the transonic cascade case, the new solver is 4.4 times faster in terms of number of iterations and 3.1 times faster in terms of CPU time than the Relaxation solver. For the hypersonic shock case, the new solver is 3.0 times faster in terms of number of iterations and 2.2 times faster in terms of CPU time than the Relaxation solver.
A High Performance QDWH-SVD Solver using Hardware Accelerators
Sukkari, Dalal E.
2015-04-08
This paper describes a new high performance implementation of the QR-based Dynamically Weighted Halley Singular Value Decomposition (QDWH-SVD) solver on multicore architecture enhanced with multiple GPUs. The standard QDWH-SVD algorithm was introduced by Nakatsukasa and Higham (SIAM SISC, 2013) and combines three successive computational stages: (1) the polar decomposition calculation of the original matrix using the QDWH algorithm, (2) the symmetric eigendecomposition of the resulting polar factor to obtain the singular values and the right singular vectors and (3) the matrix-matrix multiplication to get the associated left singular vectors. A comprehensive test suite highlights the numerical robustness of the QDWH-SVD solver. Although it performs up to two times more flops when computing all singular vectors compared to the standard SVD solver algorithm, our new high performance implementation on single GPU results in up to 3.8x improvements for asymptotic matrix sizes, compared to the equivalent routines from existing state-of-the-art open-source and commercial libraries. However, when only singular values are needed, QDWH-SVD is penalized by performing up to 14 times more flops. The singular value only implementation of QDWH-SVD on single GPU can still run up to 18% faster than the best existing equivalent routines. Integrating mixed precision techniques in the solver can additionally provide up to 40% improvement at the price of losing few digits of accuracy, compared to the full double precision floating point arithmetic. We further leverage the single GPU QDWH-SVD implementation by introducing the first multi-GPU SVD solver to study the scalability of the QDWH-SVD framework.
Decision Engines for Software Analysis Using Satisfiability Modulo Theories Solvers
Bjorner, Nikolaj
2010-01-01
The area of software analysis, testing and verification is now undergoing a revolution thanks to the use of automated and scalable support for logical methods. A well-recognized premise is that at the core of software analysis engines is invariably a component using logical formulas for describing states and transformations between system states. The process of using this information for discovering and checking program properties (including such important properties as safety and security) amounts to automatic theorem proving. In particular, theorem provers that directly support common software constructs offer a compelling basis. Such provers are commonly called satisfiability modulo theories (SMT) solvers. Z3 is a state-of-the-art SMT solver. It is developed at Microsoft Research. It can be used to check the satisfiability of logical formulas over one or more theories such as arithmetic, bit-vectors, lists, records and arrays. The talk describes some of the technology behind modern SMT solvers, including the solver Z3. Z3 is currently mainly targeted at solving problems that arise in software analysis and verification. It has been applied to various contexts, such as systems for dynamic symbolic simulation (Pex, SAGE, Vigilante), for program verification and extended static checking (Spec#/Boggie, VCC, HAVOC), for software model checking (Yogi, SLAM), model-based design (FORMULA), security protocol code (F7), program run-time analysis and invariant generation (VS3). We will describe how it integrates support for a variety of theories that arise naturally in the context of the applications. There are several new promising avenues and the talk will touch on some of these and the challenges related to SMT solvers. Proceedings
Migration of vectorized iterative solvers to distributed memory architectures
Energy Technology Data Exchange (ETDEWEB)
Pommerell, C. [AT& T Bell Labs., Murray Hill, NJ (United States); Ruehl, R. [CSCS-ETH, Manno (Switzerland)
1994-12-31
Both necessity and opportunity motivate the use of high-performance computers for iterative linear solvers. Necessity results from the size of the problems being solved-smaller problems are often better handled by direct methods. Opportunity arises from the formulation of the iterative methods in terms of simple linear algebra operations, even if this {open_quote}natural{close_quotes} parallelism is not easy to exploit in irregularly structured sparse matrices and with good preconditioners. As a result, high-performance implementations of iterative solvers have attracted a lot of interest in recent years. Most efforts are geared to vectorize or parallelize the dominating operation-structured or unstructured sparse matrix-vector multiplication, or to increase locality and parallelism by reformulating the algorithm-reducing global synchronization in inner products or local data exchange in preconditioners. Target architectures for iterative solvers currently include mostly vector supercomputers and architectures with one or few optimized (e.g., super-scalar and/or super-pipelined RISC) processors and hierarchical memory systems. More recently, parallel computers with physically distributed memory and a better price/performance ratio have been offered by vendors as a very interesting alternative to vector supercomputers. However, programming comfort on such distributed memory parallel processors (DMPPs) still lags behind. Here the authors are concerned with iterative solvers and their changing computing environment. In particular, they are considering migration from traditional vector supercomputers to DMPPs. Application requirements force one to use flexible and portable libraries. They want to extend the portability of iterative solvers rather than reimplementing everything for each new machine, or even for each new architecture.
Autotuning of Adaptive Mesh Refinement PDE Solvers on Shared Memory Architectures
Nogina, Svetlana
2012-01-01
Many multithreaded, grid-based, dynamically adaptive solvers for partial differential equations permanently have to traverse subgrids (patches) of different and changing sizes. The parallel efficiency of this traversal depends on the interplay of the patch size, the architecture used, the operations triggered throughout the traversal, and the grain size, i.e. the size of the subtasks the patch is broken into. We propose an oracle mechanism delivering grain sizes on-the-fly. It takes historical runtime measurements for different patch and grain sizes as well as the traverse\\'s operations into account, and it yields reasonable speedups. Neither magic configuration settings nor an expensive pre-tuning phase are necessary. It is an autotuning approach. © 2012 Springer-Verlag.
An Eulerian finite volume solver for multi-material fluid flows with cylindrical symmetry
International Nuclear Information System (INIS)
Bernard-Champmartin, Aude; Ghidaglia, Jean-Michel; Braeunig, Jean-Philippe
2013-01-01
In this paper, we adapt a pre-existing 2D cartesian cell centered finite volume solver to treat the compressible 3D Euler equations with cylindrical symmetry. We then extend it to multi-material flows. Assuming cylindrical symmetry with respect to the z axis (i.e. all the functions do not depend explicitly on the angular variable h), we obtain a set of five conservation laws with source terms that can be decoupled in two systems solved on a 2D orthogonal mesh in which a cell as a torus geometry. A specific up-winding treatment of the source term is required and implemented for the stationary case. Test cases will be presented for vanishing and non-vanishing azimuthal velocity uh. (authors)
Collier, Nathan; Dalcin, Lisandro; Calo, Victor M.
2014-01-01
SUMMARY: We compare the computational efficiency of isogeometric Galerkin and collocation methods for partial differential equations in the asymptotic regime. We define a metric to identify when numerical experiments have reached this regime. We then apply these ideas to analyze the performance of different isogeometric discretizations, which encompass C0 finite element spaces and higher-continuous spaces. We derive convergence and cost estimates in terms of the total number of degrees of freedom and then perform an asymptotic numerical comparison of the efficiency of these methods applied to an elliptic problem. These estimates are derived assuming that the underlying solution is smooth, the full Gauss quadrature is used in each non-zero knot span and the numerical solution of the discrete system is found using a direct multi-frontal solver. We conclude that under the assumptions detailed in this paper, higher-continuous basis functions provide marginal benefits.
PB-AM: An open-source, fully analytical linear poisson-boltzmann solver.
Felberg, Lisa E; Brookes, David H; Yap, Eng-Hui; Jurrus, Elizabeth; Baker, Nathan A; Head-Gordon, Teresa
2017-06-05
We present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized PB equation, for molecules represented as non-overlapping spherical cavities. The PB-AM software package includes the generation of outputs files appropriate for visualization using visual molecular dynamics, a Brownian dynamics scheme that uses periodic boundary conditions to simulate dynamics, the ability to specify docking criteria, and offers two different kinetics schemes to evaluate biomolecular association rate constants. Given that PB-AM defines mutual polarization completely and accurately, it can be refactored as a many-body expansion to explore 2- and 3-body polarization. Additionally, the software has been integrated into the Adaptive Poisson-Boltzmann Solver (APBS) software package to make it more accessible to a larger group of scientists, educators, and students that are more familiar with the APBS framework. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.
Directory of Open Access Journals (Sweden)
Liyang Wang
2017-01-01
Full Text Available The application of biped robots is always trapped by their high energy consumption. This paper makes a contribution by optimizing the joint torques to decrease the energy consumption without changing the biped gaits. In this work, a constrained quadratic programming (QP problem for energy optimization is formulated. A neurodynamics-based solver is presented to solve the QP problem. Differing from the existing literatures, the proposed neurodynamics-based energy optimization (NEO strategy minimizes the energy consumption and guarantees the following three important constraints simultaneously: (i the force-moment equilibrium equation of biped robots, (ii frictions applied by each leg on the ground to hold the biped robot without slippage and tipping over, and (iii physical limits of the motors. Simulations demonstrate that the proposed strategy is effective for energy-efficient biped walking.
Collier, Nathan
2014-09-17
SUMMARY: We compare the computational efficiency of isogeometric Galerkin and collocation methods for partial differential equations in the asymptotic regime. We define a metric to identify when numerical experiments have reached this regime. We then apply these ideas to analyze the performance of different isogeometric discretizations, which encompass C0 finite element spaces and higher-continuous spaces. We derive convergence and cost estimates in terms of the total number of degrees of freedom and then perform an asymptotic numerical comparison of the efficiency of these methods applied to an elliptic problem. These estimates are derived assuming that the underlying solution is smooth, the full Gauss quadrature is used in each non-zero knot span and the numerical solution of the discrete system is found using a direct multi-frontal solver. We conclude that under the assumptions detailed in this paper, higher-continuous basis functions provide marginal benefits.
An evaluation of parallel multigrid as a solver and a preconditioner for singular perturbed problems
Energy Technology Data Exchange (ETDEWEB)
Oosterlee, C.W. [Inst. for Algorithms and Scientific Computing, Sankt Augustin (Germany); Washio, T. [C& C Research Lab., Sankt Augustin (Germany)
1996-12-31
In this paper we try to achieve h-independent convergence with preconditioned GMRES and BiCGSTAB for 2D singular perturbed equations. Three recently developed multigrid methods are adopted as a preconditioner. They are also used as solution methods in order to compare the performance of the methods as solvers and as preconditioners. Two of the multigrid methods differ only in the transfer operators. One uses standard matrix- dependent prolongation operators from. The second uses {open_quotes}upwind{close_quotes} prolongation operators, developed. Both employ the Galerkin coarse grid approximation and an alternating zebra line Gauss-Seidel smoother. The third method is based on the block LU decomposition of a matrix and on an approximate Schur complement. This multigrid variant is presented in. All three multigrid algorithms are algebraic methods.
Deng, Liang; Bai, Hanli; Wang, Fang; Xu, Qingxin
2016-06-01
CPU/GPU computing allows scientists to tremendously accelerate their numerical codes. In this paper, we port and optimize a double precision alternating direction implicit (ADI) solver for three-dimensional compressible Navier-Stokes equations from our in-house Computational Fluid Dynamics (CFD) software on heterogeneous platform. First, we implement a full GPU version of the ADI solver to remove a lot of redundant data transfers between CPU and GPU, and then design two fine-grain schemes, namely “one-thread-one-point” and “one-thread-one-line”, to maximize the performance. Second, we present a dual-level parallelization scheme using the CPU/GPU collaborative model to exploit the computational resources of both multi-core CPUs and many-core GPUs within the heterogeneous platform. Finally, considering the fact that memory on a single node becomes inadequate when the simulation size grows, we present a tri-level hybrid programming pattern MPI-OpenMP-CUDA that merges fine-grain parallelism using OpenMP and CUDA threads with coarse-grain parallelism using MPI for inter-node communication. We also propose a strategy to overlap the computation with communication using the advanced features of CUDA and MPI programming. We obtain speedups of 6.0 for the ADI solver on one Tesla M2050 GPU in contrast to two Xeon X5670 CPUs. Scalability tests show that our implementation can offer significant performance improvement on heterogeneous platform.
International Nuclear Information System (INIS)
Yoon, Churl; Park, Joo Hwan
2007-01-01
When a PHT(Primary Heat Transfer) system fails to remove excess heat from fuel channels for some loss of coolant accidents(LOCA's) in CANDU NPP's, the fuel channel temperature could increase until the pressure tube strains (i.e., balloon or sag) to contact its surrounding Calandria tube.(PT/CT contact) Following a PT/CT contact, there is a spike in the heat flux to the moderator surrounding the Calandria tube, which may lead to a sustained CT dryout and also a failure of a fuel channel. The prevention of a CT dryout following a PT/CT contact depends on the local moderator subcooling. That is, fuel channel integrity depends on the capability of the moderator to act as the ultimate heat sink for some LOCA's in a CANDU reactor. In KAERI, Yoon et al. developed a CFD model for predicting a CANDU-6 moderator temperature on the basis of a commercial CFD code CFX-4(ANSYS Inc.). This analytic model has the strength of modelling the hydraulic resistances in the core region and accounting for a heat source term in the energy equations. But convergence difficulties and a slow computing speed are the limitations of this model, because the CFX-4 code adapts a segregated solver to resolve a moderator circulation including a strong coupled-effect. Compared to a segregated solver, a coupled-solver is highly efficient and robust especially for a flow with a strong interference between the variables such as combustion
International Nuclear Information System (INIS)
Lee, Jin Pyo; Joo, Han Gyu
2010-01-01
In the thermo-fluid analysis code named CUPID, the linear system of pressure equations must be solved in each iteration step. The time for repeatedly solving the linear system can be quite significant because large sparse matrices of Rank more than 50,000 are involved and the diagonal dominance of the system is hardly hold. Therefore parallelization of the linear system solver is essential to reduce the computing time. Meanwhile, Graphics Processing Units (GPU) have been developed as highly parallel, multi-core processors for the global demand of high quality 3D graphics. If a suitable interface is provided, parallelization using GPU can be available to engineering computing. NVIDIA provides a Software Development Kit(SDK) named CUDA(Compute Unified Device Architecture) to code developers so that they can manage GPUs for parallelization using the C language. In this research, we implement parallel routines for the linear system solver using CUDA, and examine the performance of the parallelization. In the next section, we will describe the method of CUDA parallelization for the CUPID code, and then the performance of the CUDA parallelization will be discussed
DEFF Research Database (Denmark)
Andersen, Michael; Abel, Sarah Maria Niebe; Erleben, Kenny
2017-01-01
We address the task of computing solutions for a separating fluid-solid wall boundary condition model. We present an embarrassingly parallel, easy to implement, fluid LCP solver.We are able to use greater domain sizes than previous works have shown, due to our new solver. The solver exploits matr...
IRMHD: an implicit radiative and magnetohydrodynamical solver for self-gravitating systems
Hujeirat, A.
1998-07-01
The 2D implicit hydrodynamical solver developed by Hujeirat & Rannacher is now modified to include the effects of radiation, magnetic fields and self-gravity in different geometries. The underlying numerical concept is based on the operator splitting approach, and the resulting 2D matrices are inverted using different efficient preconditionings such as ADI (alternating direction implicit), the approximate factorization method and Line-Gauss-Seidel or similar iteration procedures. Second-order finite volume with third-order upwinding and second-order time discretization is used. To speed up convergence and enhance efficiency we have incorporated an adaptive time-step control and monotonic multilevel grid distributions as well as vectorizing the code. Test calculations had shown that it requires only 38 per cent more computational effort than its explicit counterpart, whereas its range of application to astrophysical problems is much larger. For example, strongly time-dependent, quasi-stationary and steady-state solutions for the set of Euler and Navier-Stokes equations can now be sought on a non-linearly distributed and strongly stretched mesh. As most of the numerical techniques used to build up this algorithm have been described by Hujeirat & Rannacher in an earlier paper, we focus in this paper on the inclusion of self-gravity, radiation and magnetic fields. Strategies for satisfying the condition ∇.B=0 in the implicit evolution of MHD flows are given. A new discretization strategy for the vector potential which allows alternating use of the direct method is prescribed. We investigate the efficiencies of several 2D solvers for a Poisson-like equation and compare their convergence rates. We provide a splitting approach for the radiative flux within the FLD (flux-limited diffusion) approximation to enhance consistency and accuracy between regions of different optical depths. The results of some test problems are presented to demonstrate the accuracy and
Adaptive multi-resolution 3D Hartree-Fock-Bogoliubov solver for nuclear structure
Pei, J. C.; Fann, G. I.; Harrison, R. J.; Nazarewicz, W.; Shi, Yue; Thornton, S.
2014-08-01
Background: Complex many-body systems, such as triaxial and reflection-asymmetric nuclei, weakly bound halo states, cluster configurations, nuclear fragments produced in heavy-ion fusion reactions, cold Fermi gases, and pasta phases in neutron star crust, are all characterized by large sizes and complex topologies in which many geometrical symmetries characteristic of ground-state configurations are broken. A tool of choice to study such complex forms of matter is an adaptive multi-resolution wavelet analysis. This method has generated much excitement since it provides a common framework linking many diversified methodologies across different fields, including signal processing, data compression, harmonic analysis and operator theory, fractals, and quantum field theory. Purpose: To describe complex superfluid many-fermion systems, we introduce an adaptive pseudospectral method for solving self-consistent equations of nuclear density functional theory in three dimensions, without symmetry restrictions. Methods: The numerical method is based on the multi-resolution and computational harmonic analysis techniques with a multi-wavelet basis. The application of state-of-the-art parallel programming techniques include sophisticated object-oriented templates which parse the high-level code into distributed parallel tasks with a multi-thread task queue scheduler for each multi-core node. The internode communications are asynchronous. The algorithm is variational and is capable of solving coupled complex-geometric systems of equations adaptively, with functional and boundary constraints, in a finite spatial domain of very large size, limited by existing parallel computer memory. For smooth functions, user-defined finite precision is guaranteed. Results: The new adaptive multi-resolution Hartree-Fock-Bogoliubov (HFB) solver madness-hfb is benchmarked against a two-dimensional coordinate-space solver hfb-ax that is based on the B-spline technique and a three-dimensional solver
DEFF Research Database (Denmark)
Staunstrup, Jørgen
1998-01-01
This paper proposes that Interface Consistency is an important issue for the development of modular designs. Byproviding a precise specification of component interfaces it becomes possible to check that separately developedcomponents use a common interface in a coherent matter thus avoiding a very...... significant source of design errors. Awide range of interface specifications are possible, the simplest form is a syntactical check of parameter types.However, today it is possible to do more sophisticated forms involving semantic checks....
DEFF Research Database (Denmark)
Ravn, Anders P.; Staunstrup, Jørgen
1994-01-01
This paper proposes a model for specifying interfaces between concurrently executing modules of a computing system. The model does not prescribe a particular type of communication protocol and is aimed at describing interfaces between both software and hardware modules or a combination of the two....... The model describes both functional and timing properties of an interface...
BeamDyn: A High-Fidelity Wind Turbine Blade Solver in the FAST Modular Framework: Preprint
Energy Technology Data Exchange (ETDEWEB)
Wang, Q.; Sprague, M.; Jonkman, J.; Johnson, N.
2015-01-01
BeamDyn, a Legendre-spectral-finite-element implementation of geometrically exact beam theory (GEBT), was developed to meet the design challenges associated with highly flexible composite wind turbine blades. In this paper, the governing equations of GEBT are reformulated into a nonlinear state-space form to support its coupling within the modular framework of the FAST wind turbine computer-aided engineering (CAE) tool. Different time integration schemes (implicit and explicit) were implemented and examined for wind turbine analysis. Numerical examples are presented to demonstrate the capability of this new beam solver. An example analysis of a realistic wind turbine blade, the CX-100, is also presented as validation.
Sun, Shuyu; Salama, Amgad; El-Amin, Mohamed
2012-01-01
A new technique for the numerical solution of the partial differential equations governing transport phenomena in porous media is introduced. In this technique, the governing equations as depicted from the physics of the problem are used without extra manipulations. In other words, there is no need to reduce the number of governing equations by some sort of mathematical manipulations. This technique enables the separation of the physics part of the problem and the solver part, which makes coding more robust and could be used in several other applications with little or no modifications (e.g., multi-phase flow in porous media). In this method, one abandons the need to construct the coefficient matrix for the pressure equation. Alternatively, the coefficients are automatically generated within the solver routine. We show examples of using this technique to solving several flow problems in porous media.
Sun, Shuyu
2012-06-02
A new technique for the numerical solution of the partial differential equations governing transport phenomena in porous media is introduced. In this technique, the governing equations as depicted from the physics of the problem are used without extra manipulations. In other words, there is no need to reduce the number of governing equations by some sort of mathematical manipulations. This technique enables the separation of the physics part of the problem and the solver part, which makes coding more robust and could be used in several other applications with little or no modifications (e.g., multi-phase flow in porous media). In this method, one abandons the need to construct the coefficient matrix for the pressure equation. Alternatively, the coefficients are automatically generated within the solver routine. We show examples of using this technique to solving several flow problems in porous media.
Energy Technology Data Exchange (ETDEWEB)
Shu, Yu-Chen, E-mail: ycshu@mail.ncku.edu.tw [Department of Mathematics, National Cheng Kung University, Tainan 701, Taiwan (China); Mathematics Division, National Center for Theoretical Sciences (South), Tainan 701, Taiwan (China); Chern, I-Liang, E-mail: chern@math.ntu.edu.tw [Department of Applied Mathematics, National Chiao Tung University, Hsin Chu 300, Taiwan (China); Department of Mathematics, National Taiwan University, Taipei 106, Taiwan (China); Mathematics Division, National Center for Theoretical Sciences (Taipei Office), Taipei 106, Taiwan (China); Chang, Chien C., E-mail: mechang@iam.ntu.edu.tw [Institute of Applied Mechanics, National Taiwan University, Taipei 106, Taiwan (China); Department of Mathematics, National Taiwan University, Taipei 106, Taiwan (China)
2014-10-15
Most elliptic interface solvers become complicated for complex interface problems at those “exceptional points” where there are not enough neighboring interior points for high order interpolation. Such complication increases especially in three dimensions. Usually, the solvers are thus reduced to low order accuracy. In this paper, we classify these exceptional points and propose two recipes to maintain order of accuracy there, aiming at improving the previous coupling interface method [26]. Yet the idea is also applicable to other interface solvers. The main idea is to have at least first order approximations for second order derivatives at those exceptional points. Recipe 1 is to use the finite difference approximation for the second order derivatives at a nearby interior grid point, whenever this is possible. Recipe 2 is to flip domain signatures and introduce a ghost state so that a second-order method can be applied. This ghost state is a smooth extension of the solution at the exceptional point from the other side of the interface. The original state is recovered by a post-processing using nearby states and jump conditions. The choice of recipes is determined by a classification scheme of the exceptional points. The method renders the solution and its gradient uniformly second-order accurate in the entire computed domain. Numerical examples are provided to illustrate the second order accuracy of the presently proposed method in approximating the gradients of the original states for some complex interfaces which we had tested previous in two and three dimensions, and a real molecule ( (1D63)) which is double-helix shape and composed of hundreds of atoms.
Benchmarking ICRF Full-wave Solvers for ITER
International Nuclear Information System (INIS)
Budny, R.V.; Berry, L.; Bilato, R.; Bonoli, P.; Brambilla, M.; Dumont, R.J.; Fukuyama, A.; Harvey, R.; Jaeger, E.F.; Indireshkumar, K.; Lerche, E.; McCune, D.; Phillips, C.K.; Vdovin, V.; Wright, J.
2011-01-01
Benchmarking of full-wave solvers for ICRF simulations is performed using plasma profiles and equilibria obtained from integrated self-consistent modeling predictions of four ITER plasmas. One is for a high performance baseline (5.3 T, 15 MA) DT H-mode. The others are for half-field, half-current plasmas of interest for the pre-activation phase with bulk plasma ion species being either hydrogen or He4. The predicted profiles are used by six full-wave solver groups to simulate the ICRF electromagnetic fields and heating, and by three of these groups to simulate the current-drive. Approximate agreement is achieved for the predicted heating power for the DT and He4 cases. Factor of two disagreements are found for the cases with second harmonic He3 heating in bulk H cases. Approximate agreement is achieved simulating the ICRF current drive.
Comparison of Einstein-Boltzmann solvers for testing general relativity
Bellini, E.; Barreira, A.; Frusciante, N.; Hu, B.; Peirone, S.; Raveri, M.; Zumalacárregui, M.; Avilez-Lopez, A.; Ballardini, M.; Battye, R. A.; Bolliet, B.; Calabrese, E.; Dirian, Y.; Ferreira, P. G.; Finelli, F.; Huang, Z.; Ivanov, M. M.; Lesgourgues, J.; Li, B.; Lima, N. A.; Pace, F.; Paoletti, D.; Sawicki, I.; Silvestri, A.; Skordis, C.; Umiltà, C.; Vernizzi, F.
2018-01-01
We compare Einstein-Boltzmann solvers that include modifications to general relativity and find that, for a wide range of models and parameters, they agree to a high level of precision. We look at three general purpose codes that primarily model general scalar-tensor theories, three codes that model Jordan-Brans-Dicke (JBD) gravity, a code that models f (R ) gravity, a code that models covariant Galileons, a code that models Hořava-Lifschitz gravity, and two codes that model nonlocal models of gravity. Comparing predictions of the angular power spectrum of the cosmic microwave background and the power spectrum of dark matter for a suite of different models, we find agreement at the subpercent level. This means that this suite of Einstein-Boltzmann solvers is now sufficiently accurate for precision constraints on cosmological and gravitational parameters.
Parallel Auxiliary Space AMG Solver for $H(div)$ Problems
Energy Technology Data Exchange (ETDEWEB)
Kolev, Tzanio V. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Vassilevski, Panayot S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2012-12-18
We present a family of scalable preconditioners for matrices arising in the discretization of $H(div)$ problems using the lowest order Raviart--Thomas finite elements. Our approach belongs to the class of “auxiliary space''--based methods and requires only the finite element stiffness matrix plus some minimal additional discretization information about the topology and orientation of mesh entities. Also, we provide a detailed algebraic description of the theory, parallel implementation, and different variants of this parallel auxiliary space divergence solver (ADS) and discuss its relations to the Hiptmair--Xu (HX) auxiliary space decomposition of $H(div)$ [SIAM J. Numer. Anal., 45 (2007), pp. 2483--2509] and to the auxiliary space Maxwell solver AMS [J. Comput. Math., 27 (2009), pp. 604--623]. Finally, an extensive set of numerical experiments demonstrates the robustness and scalability of our implementation on large-scale $H(div)$ problems with large jumps in the material coefficients.
Nonlinear Multigrid solver exploiting AMGe Coarse Spaces with Approximation Properties
DEFF Research Database (Denmark)
Christensen, Max la Cour; Villa, Umberto; Engsig-Karup, Allan Peter
The paper introduces a nonlinear multigrid solver for mixed finite element discretizations based on the Full Approximation Scheme (FAS) and element-based Algebraic Multigrid (AMGe). The main motivation to use FAS for unstructured problems is the guaranteed approximation property of the AMGe coarse...... properties of the coarse spaces. With coarse spaces with approximation properties, our FAS approach on unstructured meshes has the ability to be as powerful/successful as FAS on geometrically refined meshes. For comparison, Newton’s method and Picard iterations with an inner state-of-the-art linear solver...... are compared to FAS on a nonlinear saddle point problem with applications to porous media flow. It is demonstrated that FAS is faster than Newton’s method and Picard iterations for the experiments considered here. Due to the guaranteed approximation properties of our AMGe, the coarse spaces are very accurate...
CASTRO: A NEW COMPRESSIBLE ASTROPHYSICAL SOLVER. II. GRAY RADIATION HYDRODYNAMICS
International Nuclear Information System (INIS)
Zhang, W.; Almgren, A.; Bell, J.; Howell, L.; Burrows, A.
2011-01-01
We describe the development of a flux-limited gray radiation solver for the compressible astrophysics code, CASTRO. CASTRO uses an Eulerian grid with block-structured adaptive mesh refinement based on a nested hierarchy of logically rectangular variable-sized grids with simultaneous refinement in both space and time. The gray radiation solver is based on a mixed-frame formulation of radiation hydrodynamics. In our approach, the system is split into two parts, one part that couples the radiation and fluid in a hyperbolic subsystem, and another parabolic part that evolves radiation diffusion and source-sink terms. The hyperbolic subsystem is solved explicitly with a high-order Godunov scheme, whereas the parabolic part is solved implicitly with a first-order backward Euler method.
International Nuclear Information System (INIS)
James Demmel
2007-01-01
In many areas of science, physical experimentation may be too dangerous, too expensive or even impossible. Instead, large-scale simulations, validated by comparison with related experiments in well-understood laboratory contexts, are used by scientists to gain insight and confirmation of existing theories in such areas, without benefit of full experimental verification. The goal of the TOPS ISIC was to develop and implement algorithms and support scientific investigations performed by DOE-sponsored researchers. A major component of this effort is to provide software for large scale parallel computers capable of efficiently solving the enormous systems of equations arising from the nonlinear PDEs underlying these simulations. Several TOPS supported packages where designed in part (ScaLAPACK) or in whole (SuperLU) at Berkeley, and are widely used beyond SciDAC and DOE. Beyond continuing to develop these codes, our main effort focused on automatic performance tuning of the sparse matrix kernels (eg sparse-matrix-vector-multiply, or SpMV) at the core of many TOPS iterative solvers. Based on the observation that the fastest implementation of SpMV (and other kernels) can depend dramatically both on the computer and the matrix (the latter of which is not known until run-time), we developed and released a system called OSKI (Optimized Sparse Kernel Interface) that will automatically produce optimized version of SpMV (and other kernels), hiding complicated implementation details from the user. OSKI led to a 2x speedup in SpMV in a DOE accelerator design code, a 2x speedup in a commercial lithography simulation, and has been downloaded over 500 times. In addition to a stand-alone version, OSKI was also integrated into the TOPS-supported PETSc system
Matlab Geochemistry: An open source geochemistry solver based on MRST
McNeece, C. J.; Raynaud, X.; Nilsen, H.; Hesse, M. A.
2017-12-01
The study of geological systems often requires the solution of complex geochemical relations. To address this need we present an open source geochemical solver based on the Matlab Reservoir Simulation Toolbox (MRST) developed by SINTEF. The implementation supports non-isothermal multicomponent aqueous complexation, surface complexation, ion exchange, and dissolution/precipitation reactions. The suite of tools available in MRST allows for rapid model development, in particular the incorporation of geochemical calculations into transport simulations of multiple phases, complex domain geometry and geomechanics. Different numerical schemes and additional physics can be easily incorporated into the existing tools through the object-oriented framework employed by MRST. The solver leverages the automatic differentiation tools available in MRST to solve arbitrarily complex geochemical systems with any choice of species or element concentration as input. Four mathematical approaches enable the solver to be quite robust: 1) the choice of chemical elements as the basis components makes all entries in the composition matrix positive thus preserving convexity, 2) a log variable transformation is used which transfers the nonlinearity to the convex composition matrix, 3) a priori bounds on variables are calculated from the structure of the problem, constraining Netwon's path and 4) an initial guess is calculated implicitly by sequentially adding model complexity. As a benchmark we compare the model to experimental and semi-analytic solutions of the coupled salinity-acidity transport system. Together with the reservoir simulation capabilities of MRST the solver offers a promising tool for geochemical simulations in reservoir domains for applications in a diversity of fields from enhanced oil recovery to radionuclide storage.
Boltzmann Solver with Adaptive Mesh in Velocity Space
International Nuclear Information System (INIS)
Kolobov, Vladimir I.; Arslanbekov, Robert R.; Frolova, Anna A.
2011-01-01
We describe the implementation of direct Boltzmann solver with Adaptive Mesh in Velocity Space (AMVS) using quad/octree data structure. The benefits of the AMVS technique are demonstrated for the charged particle transport in weakly ionized plasmas where the collision integral is linear. We also describe the implementation of AMVS for the nonlinear Boltzmann collision integral. Test computations demonstrate both advantages and deficiencies of the current method for calculations of narrow-kernel distributions.
Resolving Neighbourhood Relations in a Parallel Fluid Dynamic Solver
Frisch, Jerome
2012-06-01
Computational Fluid Dynamics simulations require an enormous computational effort if a physically reasonable accuracy should be reached. Therefore, a parallel implementation is inevitable. This paper describes the basics of our implemented fluid solver with a special aspect on the hierarchical data structure, unique cell and grid identification, and the neighbourhood relations in-between grids on different processes. A special server concept keeps track of every grid over all processes while minimising data transfer between the nodes. © 2012 IEEE.
Menu-Driven Solver Of Linear-Programming Problems
Viterna, L. A.; Ferencz, D.
1992-01-01
Program assists inexperienced user in formulating linear-programming problems. A Linear Program Solver (ALPS) computer program is full-featured LP analysis program. Solves plain linear-programming problems as well as more-complicated mixed-integer and pure-integer programs. Also contains efficient technique for solution of purely binary linear-programming problems. Written entirely in IBM's APL2/PC software, Version 1.01. Packed program contains licensed material, property of IBM (copyright 1988, all rights reserved).
A contribution to the great Riemann solver debate
Quirk, James J.
1992-01-01
The aims of this paper are threefold: to increase the level of awareness within the shock capturing community to the fact that many Godunov-type methods contain subtle flaws that can cause spurious solutions to be computed; to identify one mechanism that might thwart attempts to produce very high resolution simulations; and to proffer a simple strategy for overcoming the specific failings of individual Riemann solvers.
Applications of 3-D Maxwell solvers to accelerator design
International Nuclear Information System (INIS)
Chou, W.
1990-01-01
This paper gives a brief discussion on various applications of 3-D Maxwell solvers to accelerator design. The work is based on our experience gained during the design of the storage ring of the 7-GeV Advanced Photon Source (APS). It shows that 3-D codes are not replaceable in many cases, and that a lot of work remains to be done in order to establish a solid base for 3-D simulations
Solving differential–algebraic equation systems by means of index reduction methodology
DEFF Research Database (Denmark)
Sørensen, Kim; Houbak, Niels; Condra, Thomas
2006-01-01
of a number of differential equations and algebraic equations — a so called DAE system. Two of the DAE systems are of index 1 and they can be solved by means of standard DAE-solvers. For the actual application, the equation systems are integrated by means of MATLAB’s solver: ode23t, that solves moderately...... stiff ODEs and index 1 DAEs by means of the trapezoidal rule. The last sub-model that models the boilers steam drum consist of two differential and three algebraic equations. The index of this model is greater than 1, which means that ode23t cannot integrate this equation system. In this paper......, it is shown how the equation system, by means of an index reduction methodology, can be reduced to a system of ordinary differential equations — ODEs....
Solving differential-algebraic equation systems by means of index reduction methodology
DEFF Research Database (Denmark)
Sørensen, Kim; Houbak, Niels; Condra, Thomas Joseph
2006-01-01
of a number of differential equations and algebraic equations - a so called DAE system. Two of the DAE systems are of index 1 and they can be solved by means of standard DAE-solvers. For the actual application, the equation systems are integrated by means of MATLAB’s solver: ode23t, that solves moderately...... stiff ODE’s and index 1 DAE’s by means of the trapezoidal rule. The last sub-model that models the boilers steam drum consist of two differential and three algebraic equations. The index of this model is greater than 1, which means that ode23t cannot integrate this equation system. In this paper......, it is shown how the equation system, by means of an index reduction methodology, can be reduced to a system of Ordinary- Differential-Equations - ODE’s....
Method of lines solution of Richards` equation
Energy Technology Data Exchange (ETDEWEB)
Kelley, C.T.; Miller, C.T.; Tocci, M.D.
1996-12-31
We consider the method of lines solution of Richard`s equation, which models flow through porous media, as an example of a situation in which the method can give incorrect results because of premature termination of the nonlinear corrector iteration. This premature termination arises when the solution has a sharp moving front and the Jacobian is ill-conditioned. While this problem can be solved by tightening the tolerances provided to the ODE or DAE solver used for the temporal integration, it is more efficient to modify the termination criteria of the nonlinear solver and/or recompute the Jacobian more frequently. In this paper we continue previous work on this topic by analyzing the modifications in more detail and giving a strategy on how the modifications can be turned on and off in response to changes in the character of the solution.
Scalable parallel prefix solvers for discrete ordinates transport
International Nuclear Information System (INIS)
Pautz, S.; Pandya, T.; Adams, M.
2009-01-01
The well-known 'sweep' algorithm for inverting the streaming-plus-collision term in first-order deterministic radiation transport calculations has some desirable numerical properties. However, it suffers from parallel scaling issues caused by a lack of concurrency. The maximum degree of concurrency, and thus the maximum parallelism, grows more slowly than the problem size for sweeps-based solvers. We investigate a new class of parallel algorithms that involves recasting the streaming-plus-collision problem in prefix form and solving via cyclic reduction. This method, although computationally more expensive at low levels of parallelism than the sweep algorithm, offers better theoretical scalability properties. Previous work has demonstrated this approach for one-dimensional calculations; we show how to extend it to multidimensional calculations. Notably, for multiple dimensions it appears that this approach is limited to long-characteristics discretizations; other discretizations cannot be cast in prefix form. We implement two variants of the algorithm within the radlib/SCEPTRE transport code library at Sandia National Laboratories and show results on two different massively parallel systems. Both the 'forward' and 'symmetric' solvers behave similarly, scaling well to larger degrees of parallelism then sweeps-based solvers. We do observe some issues at the highest levels of parallelism (relative to the system size) and discuss possible causes. We conclude that this approach shows good potential for future parallel systems, but the parallel scalability will depend heavily on the architecture of the communication networks of these systems. (authors)
A Survey of Solver-Related Geometry and Meshing Issues
Masters, James; Daniel, Derick; Gudenkauf, Jared; Hine, David; Sideroff, Chris
2016-01-01
There is a concern in the computational fluid dynamics community that mesh generation is a significant bottleneck in the CFD workflow. This is one of several papers that will help set the stage for a moderated panel discussion addressing this issue. Although certain general "rules of thumb" and a priori mesh metrics can be used to ensure that some base level of mesh quality is achieved, inadequate consideration is often given to the type of solver or particular flow regime on which the mesh will be utilized. This paper explores how an analyst may want to think differently about a mesh based on considerations such as if a flow is compressible vs. incompressible or hypersonic vs. subsonic or if the solver is node-centered vs. cell-centered. This paper is a high-level investigation intended to provide general insight into how considering the nature of the solver or flow when performing mesh generation has the potential to increase the accuracy and/or robustness of the solution and drive the mesh generation process to a state where it is no longer a hindrance to the analysis process.
NONLINEAR MULTIGRID SOLVER EXPLOITING AMGe COARSE SPACES WITH APPROXIMATION PROPERTIES
Energy Technology Data Exchange (ETDEWEB)
Christensen, Max La Cour [Technical Univ. of Denmark, Lyngby (Denmark); Villa, Umberto E. [Univ. of Texas, Austin, TX (United States); Engsig-Karup, Allan P. [Technical Univ. of Denmark, Lyngby (Denmark); Vassilevski, Panayot S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2016-01-22
The paper introduces a nonlinear multigrid solver for mixed nite element discretizations based on the Full Approximation Scheme (FAS) and element-based Algebraic Multigrid (AMGe). The main motivation to use FAS for unstruc- tured problems is the guaranteed approximation property of the AMGe coarse spaces that were developed recently at Lawrence Livermore National Laboratory. These give the ability to derive stable and accurate coarse nonlinear discretization problems. The previous attempts (including ones with the original AMGe method, [5, 11]), were less successful due to lack of such good approximation properties of the coarse spaces. With coarse spaces with approximation properties, our FAS approach on un- structured meshes should be as powerful/successful as FAS on geometrically re ned meshes. For comparison, Newton's method and Picard iterations with an inner state-of-the-art linear solver is compared to FAS on a nonlinear saddle point problem with applications to porous media ow. It is demonstrated that FAS is faster than Newton's method and Picard iterations for the experiments considered here. Due to the guaranteed approximation properties of our AMGe, the coarse spaces are very accurate, providing a solver with the potential for mesh-independent convergence on general unstructured meshes.
OSIRIS: a runge kutta solver of systems of ordinary differential equations
International Nuclear Information System (INIS)
Collin, M.; Schett, A.
1983-12-01
The Code OSIRIS (Order and Step Idently Adjusting Runge-Kutta Integrator of Systems) has been developed on the basis of both explicit as well as implicit Runge-Kutta processes of various orders: 4(5), 7(8), 8(9), 10 for explicit processes and 4 and 6 for implicit processes of the Rosenbrock type. This permits an optimization of the integration procedure by choosing the appropriate type of Runge-Kutta methods (explicit or implicit) and by adjusting dynamically the order of the process as well as the step-size. The performance of the Code OSIRIS is demonstrated by some representative examples and is compared with the Code GEAR which is applying multistep methods
Extreme Scale FMM-Accelerated Boundary Integral Equation Solver for Wave Scattering
AbdulJabbar, Mustafa Abdulmajeed; Al Farhan, Mohammed; Al-Harthi, Noha A.; Chen, Rui; Yokota, Rio; Bagci, Hakan; Keyes, David E.
2018-01-01
scattering, which uses FMM as a matrix-vector multiplication inside the GMRES iterative method. Our FMM Helmholtz kernels treat nontrivial singular and near-field integration points. We implement highly optimized kernels for both shared and distributed memory
Numerical solver of the time-dependent Schroedinger equation with Coulomb singularities
International Nuclear Information System (INIS)
Gordon, Ariel; Jirauschek, Christian; Kaertner, Franz X.
2006-01-01
This paper addresses a very fundamental and important problem in the numerical analysis of atomic and molecular systems: How to discretize Hamiltonians with divergent potential terms, such as Coulomb singularities. At the point of a Coulomb singularity, the wave function cannot be described by a Taylor series expansion, which results in problems when standard discretization schemes are used. We propose using the known asymptotic form of the wave function near the singularity instead of the (nonexistent) Taylor series. This principle, namely discretization by asymptotic behavior correspondence (ABC), is employed in this paper for obtaining grid-discretizations for the Coulomb potential in Cartesian, cylindrical and spherical coordinate systems. We show that computations with the ABC discretization are faster and more precise than with a naive discretization by orders of magnitude. The ABC discretization is well suited for the standard numerical time propagators, such as the Crank-Nicholson, Peaceman-Rachford, and leapfrog schemes. We use the latter, since it is faster and has the same order of accuracy. The leapfrog scheme is generalized to allow absorbing potentials at the grid boundaries
A wavelet-based PWTD algorithm-accelerated time domain surface integral equation solver
Liu, Yang; Yucel, Abdulkadir C.; Gilbert, Anna C.; Bagci, Hakan; Michielssen, Eric
2015-01-01
© 2015 IEEE. The multilevel plane-wave time-domain (PWTD) algorithm allows for fast and accurate analysis of transient scattering from, and radiation by, electrically large and complex structures. When used in tandem with marching-on-in-time (MOT
Iterative least-squares solvers for the Navier-Stokes equations
Energy Technology Data Exchange (ETDEWEB)
Bochev, P. [Univ. of Texas, Arlington, TX (United States)
1996-12-31
In the recent years finite element methods of least-squares type have attracted considerable attention from both mathematicians and engineers. This interest has been motivated, to a large extent, by several valuable analytic and computational properties of least-squares variational principles. In particular, finite element methods based on such principles circumvent Ladyzhenskaya-Babuska-Brezzi condition and lead to symmetric and positive definite algebraic systems. Thus, it is not surprising that numerical solution of fluid flow problems has been among the most promising and successful applications of least-squares methods. In this context least-squares methods offer significant theoretical and practical advantages in the algorithmic design, which makes resulting methods suitable, among other things, for large-scale numerical simulations.
Explicit solution of Calderon preconditioned time domain integral equations
Ulku, Huseyin Arda
2013-07-01
An explicit marching on-in-time (MOT) scheme for solving Calderon-preconditioned time domain integral equations is proposed. The scheme uses Rao-Wilton-Glisson and Buffa-Christiansen functions to discretize the domain and range of the integral operators and a PE(CE)m type linear multistep to march on in time. Unlike its implicit counterpart, the proposed explicit solver requires the solution of an MOT system with a Gram matrix that is sparse and well-conditioned independent of the time step size. Numerical results demonstrate that the explicit solver maintains its accuracy and stability even when the time step size is chosen as large as that typically used by an implicit solver. © 2013 IEEE.
A unified gas-kinetic scheme for continuum and rarefied flows IV: Full Boltzmann and model equations
Energy Technology Data Exchange (ETDEWEB)
Liu, Chang, E-mail: cliuaa@ust.hk [Department of Mathematics and Department of Mechanical and Aerospace Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Xu, Kun, E-mail: makxu@ust.hk [Department of Mathematics and Department of Mechanical and Aerospace Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Sun, Quanhua, E-mail: qsun@imech.ac.cn [State Key Laboratory of High-temperature Gas Dynamics, Institute of Mechanics, Chinese Academy of Sciences, No. 15 Beisihuan Xi Rd, Beijing 100190 (China); Cai, Qingdong, E-mail: caiqd@mech.pku.edu.cn [Department of Mechanics and Aerospace Engineering, College of Engineering, Peking University, Beijing 100871 (China)
2016-06-01
Fluid dynamic equations are valid in their respective modeling scales, such as the particle mean free path scale of the Boltzmann equation and the hydrodynamic scale of the Navier–Stokes (NS) equations. With a variation of the modeling scales, theoretically there should have a continuous spectrum of fluid dynamic equations. Even though the Boltzmann equation is claimed to be valid in all scales, many Boltzmann solvers, including direct simulation Monte Carlo method, require the cell resolution to the order of particle mean free path scale. Therefore, they are still single scale methods. In order to study multiscale flow evolution efficiently, the dynamics in the computational fluid has to be changed with the scales. A direct modeling of flow physics with a changeable scale may become an appropriate approach. The unified gas-kinetic scheme (UGKS) is a direct modeling method in the mesh size scale, and its underlying flow physics depends on the resolution of the cell size relative to the particle mean free path. The cell size of UGKS is not limited by the particle mean free path. With the variation of the ratio between the numerical cell size and local particle mean free path, the UGKS recovers the flow dynamics from the particle transport and collision in the kinetic scale to the wave propagation in the hydrodynamic scale. The previous UGKS is mostly constructed from the evolution solution of kinetic model equations. Even though the UGKS is very accurate and effective in the low transition and continuum flow regimes with the time step being much larger than the particle mean free time, it still has space to develop more accurate flow solver in the region, where the time step is comparable with the local particle mean free time. In such a scale, there is dynamic difference from the full Boltzmann collision term and the model equations. This work is about the further development of the UGKS with the implementation of the full Boltzmann collision term in the region
Yang, H. Q.; West, Jeff
2018-01-01
Determination of slosh damping is a very challenging task as there is no analytical solution. The damping physics involves the vorticity dissipation which requires the full solution of the nonlinear Navier-Stokes equations. As a result, previous investigations were mainly carried out by extensive experiments. A systematical study is needed to understand the damping physics of baffled tanks, to identify the difference between the empirical Miles equation and experimental measurements, and to develop new semi-empirical relations to better represent the real damping physics. The approach of this study is to use Computational Fluid Dynamics (CFD) technology to shed light on the damping mechanisms of a baffled tank. First, a 1-D Navier-Stokes equation representing different length scales and time scales in the baffle damping physics is developed and analyzed. Loci-STREAM-VOF, a well validated CFD solver developed at NASA MSFC, is applied to study the vorticity field around a baffle and around the fluid-gas interface to highlight the dissipation mechanisms at different slosh amplitudes. Previous measurement data is then used to validate the CFD damping results. The study found several critical parameters controlling fluid damping from a baffle: local slosh amplitude to baffle thickness (A/t), surface liquid depth to tank radius (d/R), local slosh amplitude to baffle width (A/W); and non-dimensional slosh frequency. The simulation highlights three significant damping regimes where different mechanisms dominate. The study proves that the previously found discrepancies between Miles equation and experimental measurement are not due to the measurement scatter, but rather due to different damping mechanisms at various slosh amplitudes. The limitations on the use of Miles equation are discussed based on the flow regime.
The non-linear microscale flow solver 3DWind Developments and validation
Energy Technology Data Exchange (ETDEWEB)
Undheim, Ove
2005-05-01
This PhD thesis describes the implementation of a Reynolds Stress Model in the RANS microscale solver 3DWind, which is developed to model wind flow in complex terrain. The solver is also calibrated and validated with the two-dimensional channel flow test case C18 from the ERCOFTAC Classic database and the full-scale atmospheric flow case of the Askervein hill. The implemented equations calculate both flow cases in good accordance with available experimental and numerical results. Still, the simulation experience and obtained results show that modelling of recirculation is a difficult task. The calculated flow field is very sensitive to the separation point, which is sensitive to several other factors. One important factor is the wall functions, which cause the separation zone to depend on the thickness of the first grid cell. Compared to the k-{epsilon} model, results from simulations with the Reynolds Stress Model gave improvements in the calculated turbulence upstream the C18 hill. There were also differences in the solutions in the wake of both the C18 and the Askervein hills; still, the differences are too small to make any conclusions about the quality of the models. The disadvantages of decreased stability, more wiggles in the solution and increased computational effort are considered larger than the advantages of accounting for anisotropy and historical effects in the Reynolds stresses. The solver is further used to quantify the effects of roughness and topography by generalized two-dimensional investigations of atmospheric flow. Hills and ridges are in this analysis found to increase wind velocities at 80m by up to 38%, and wind velocities above the ocean at 80m are 14% higher than corresponding open land velocities. Finally, a full wind resource assessment has been carried out at Eldsfjellet at the Norwegian island Hitra. Results were compared with measured data and simulation results from the linearized model WAsP. WAsP was found to estimate higher
Workshop on Interface Phenomena
Kreuzer, Hans
1987-01-01
This book contains the proceedings of the first Workshop on Interface Phenomena, organized jointly by the surface science groups at Dalhousie University and the University of Maine. It was our intention to concentrate on just three topics related to the kinetics of interface reactions which, in our opinion, were frequently obscured unnecessarily in the literature and whose fundamental nature warranted an extensive discussion to help clarify the issues, very much in the spirit of the Discussions of the Faraday Society. Each session (day) saw two principal speakers expounding the different views; the session chairmen were asked to summarize the ensuing discussions. To understand the complexity of interface reactions, paradigms must be formulated to provide a framework for the interpretation of experimen tal data and for the construction of theoretical models. Phenomenological approaches have been based on a small number of rate equations for the concentrations or mole numbers of the various species involved i...
Moiseiwitsch, B L
2005-01-01
Two distinct but related approaches hold the solutions to many mathematical problems--the forms of expression known as differential and integral equations. The method employed by the integral equation approach specifically includes the boundary conditions, which confers a valuable advantage. In addition, the integral equation approach leads naturally to the solution of the problem--under suitable conditions--in the form of an infinite series.Geared toward upper-level undergraduate students, this text focuses chiefly upon linear integral equations. It begins with a straightforward account, acco
Parallel CFD Algorithms for Aerodynamical Flow Solvers on Unstructured Meshes. Parts 1 and 2
Barth, Timothy J.; Kwak, Dochan (Technical Monitor)
1995-01-01
The Advisory Group for Aerospace Research and Development (AGARD) has requested my participation in the lecture series entitled Parallel Computing in Computational Fluid Dynamics to be held at the von Karman Institute in Brussels, Belgium on May 15-19, 1995. In addition, a request has been made from the US Coordinator for AGARD at the Pentagon for NASA Ames to hold a repetition of the lecture series on October 16-20, 1995. I have been asked to be a local coordinator for the Ames event. All AGARD lecture series events have attendance limited to NATO allied countries. A brief of the lecture series is provided in the attached enclosure. Specifically, I have been asked to give two lectures of approximately 75 minutes each on the subject of parallel solution techniques for the fluid flow equations on unstructured meshes. The title of my lectures is "Parallel CFD Algorithms for Aerodynamical Flow Solvers on Unstructured Meshes" (Parts I-II). The contents of these lectures will be largely review in nature and will draw upon previously published work in this area. Topics of my lectures will include: (1) Mesh partitioning algorithms. Recursive techniques based on coordinate bisection, Cuthill-McKee level structures, and spectral bisection. (2) Newton's method for large scale CFD problems. Size and complexity estimates for Newton's method, modifications for insuring global convergence. (3) Techniques for constructing the Jacobian matrix. Analytic and numerical techniques for Jacobian matrix-vector products, constructing the transposed matrix, extensions to optimization and homotopy theories. (4) Iterative solution algorithms. Practical experience with GIVIRES and BICG-STAB matrix solvers. (5) Parallel matrix preconditioning. Incomplete Lower-Upper (ILU) factorization, domain-decomposed ILU, approximate Schur complement strategies.
Telescopic Hybrid Fast Solver for 3D Elliptic Problems with Point Singularities
Paszyńska, Anna; Jopek, Konrad; Banaś, Krzysztof; Paszyński, Maciej; Gurgul, Piotr; Lenerth, Andrew; Nguyen, Donald; Pingali, Keshav; Dalcind, Lisandro; Calo, Victor M.
2015-01-01
This paper describes a telescopic solver for two dimensional h adaptive grids with point singularities. The input for the telescopic solver is an h refined two dimensional computational mesh with rectangular finite elements. The candidates for point singularities are first localized over the mesh by using a greedy algorithm. Having the candidates for point singularities, we execute either a direct solver, that performs multiple refinements towards selected point singularities and executes a parallel direct solver algorithm which has logarithmic cost with respect to refinement level. The direct solvers executed over each candidate for point singularity return local Schur complement matrices that can be merged together and submitted to iterative solver. In this paper we utilize a parallel multi-thread GALOIS solver as a direct solver. We use Incomplete LU Preconditioned Conjugated Gradients (ILUPCG) as an iterative solver. We also show that elimination of point singularities from the refined mesh reduces significantly the number of iterations to be performed by the ILUPCG iterative solver.
Telescopic Hybrid Fast Solver for 3D Elliptic Problems with Point Singularities
Paszyńska, Anna
2015-06-01
This paper describes a telescopic solver for two dimensional h adaptive grids with point singularities. The input for the telescopic solver is an h refined two dimensional computational mesh with rectangular finite elements. The candidates for point singularities are first localized over the mesh by using a greedy algorithm. Having the candidates for point singularities, we execute either a direct solver, that performs multiple refinements towards selected point singularities and executes a parallel direct solver algorithm which has logarithmic cost with respect to refinement level. The direct solvers executed over each candidate for point singularity return local Schur complement matrices that can be merged together and submitted to iterative solver. In this paper we utilize a parallel multi-thread GALOIS solver as a direct solver. We use Incomplete LU Preconditioned Conjugated Gradients (ILUPCG) as an iterative solver. We also show that elimination of point singularities from the refined mesh reduces significantly the number of iterations to be performed by the ILUPCG iterative solver.
Poelman, W.A.; Tempelman, E.
2014-01-01
This paper deals with the consequences for product designers resulting from the replacement of traditional interfaces by responsive materials. Part 1 presents a theoretical framework regarding a new paradigm for man-machine interfacing. Part 2 provides an analysis of the opportunities offered by new
DEFF Research Database (Denmark)
Pold, Søren
2005-01-01
This article argues for seeing the interface as an important representational and aesthetic form with implications for postmodern culture and digital aesthetics. The interface emphasizes realism due in part to the desire for transparency in Human-Computer Interaction (HCI) and partly...
A new algorithm of the coupled solver for an incompressible flow
International Nuclear Information System (INIS)
Morii, Tadashi; Akamatsu, Mikio
2009-01-01
Verification and Validation (V and V) of CFD results is the key issue on applying CFD to nuclear reactor safety that needs high reliability of calculated results. Those include quantification of uncertainty by grid convergence studies (verification) and comparison with experiments (validation). The task for the systematic refinement of the grid size to demonstrate grid convergence of CFD results demands a large amount of computer resources because the calculation time tends to increase drastically with an increase of the number of the grid points. The segregated method employed by almost all commercial codes has the drawback that the iterations required for convergence are strongly dependent on the number of grid points. Since a decoupling between the momentum and continuity equations is attributed to the drawback, the coupled solution method in which the momentum and continuity equations are solved simultaneously can be an effective alternative to the segregated method. In fact, the coupled solution method has the preferable characteristics for iteration, which is little dependence on the number of grid points and requires no relaxation factors. However, the coefficient matrix of the coupled linear equation has a notable feature that the diagonal elements corresponding to the continuity are zero. In order to employ the iterative method for matrix solver such as the SOR and ICCG, preconditioning of the coefficient matrix of the original coupled linear equation is required. Constructing preconditioners has been and remains a most active area of research, and nevertheless no single 'best' method exists. Considering this issue from the physical viewpoint of the fluid dynamics, the new method SOAR has been developed to avoid the zero diagonal problem by replacing the real velocity field with newly defined artificial velocity field. This paper described to extend the SOAR to be applied to a wide range of flow encountered in nuclear reactor safety problems. (author)
Kifonidis, K.; Müller, E.
2012-08-01
Aims: We describe and study a family of new multigrid iterative solvers for the multidimensional, implicitly discretized equations of hydrodynamics. Schemes of this class are free of the Courant-Friedrichs-Lewy condition. They are intended for simulations in which widely differing wave propagation timescales are present. A preferred solver in this class is identified. Applications to some simple stiff test problems that are governed by the compressible Euler equations, are presented to evaluate the convergence behavior, and the stability properties of this solver. Algorithmic areas are determined where further work is required to make the method sufficiently efficient and robust for future application to difficult astrophysical flow problems. Methods: The basic equations are formulated and discretized on non-orthogonal, structured curvilinear meshes. Roe's approximate Riemann solver and a second-order accurate reconstruction scheme are used for spatial discretization. Implicit Runge-Kutta (ESDIRK) schemes are employed for temporal discretization. The resulting discrete equations are solved with a full-coarsening, non-linear multigrid method. Smoothing is performed with multistage-implicit smoothers. These are applied here to the time-dependent equations by means of dual time stepping. Results: For steady-state problems, our results show that the efficiency of the present approach is comparable to the best implicit solvers for conservative discretizations of the compressible Euler equations that can be found in the literature. The use of red-black as opposed to symmetric Gauss-Seidel iteration in the multistage-smoother is found to have only a minor impact on multigrid convergence. This should enable scalable parallelization without having to seriously compromise the method's algorithmic efficiency. For time-dependent test problems, our results reveal that the multigrid convergence rate degrades with increasing Courant numbers (i.e. time step sizes). Beyond a
Unified solver for fluid dynamics and aeroacoustics in isentropic gas flows
Pont, Arnau; Codina, Ramon; Baiges, Joan; Guasch, Oriol
2018-06-01
The high computational cost of solving numerically the fully compressible Navier-Stokes equations, together with the poor performance of most numerical formulations for compressible flow in the low Mach number regime, has led to the necessity for more affordable numerical models for Computational Aeroacoustics. For low Mach number subsonic flows with neither shocks nor thermal coupling, both flow dynamics and wave propagation can be considered isentropic. Therefore, a joint isentropic formulation for flow and aeroacoustics can be devised which avoids the need for segregating flow and acoustic scales. Under these assumptions density and pressure fluctuations are directly proportional, and a two field velocity-pressure compressible formulation can be derived as an extension of an incompressible solver. Moreover, the linear system of equations which arises from the proposed isentropic formulation is better conditioned than the homologous incompressible one due to the presence of a pressure time derivative. Similarly to other compressible formulations the prescription of boundary conditions will have to deal with the backscattering of acoustic waves. In this sense, a separated imposition of boundary conditions for flow and acoustic scales which allows the evacuation of waves through Dirichlet boundaries without using any tailored damping model will be presented.
Duncan, Comer; Jones, Jim
1993-01-01
A key ingredient in the simulation of self-gravitating astrophysical fluid dynamical systems is the gravitational potential and its gradient. This paper focuses on the development of a mixed method multigrid solver of the Poisson equation formulated so that both the potential and the Cartesian components of its gradient are self-consistently and accurately generated. The method achieves this goal by formulating the problem as a system of four equations for the gravitational potential and the three Cartesian components of the gradient and solves them using a distributed relaxation technique combined with conventional full multigrid V-cycles. The method is described, some tests are presented, and the accuracy of the method is assessed. We also describe how the method has been incorporated into our three-dimensional hydrodynamics code and give an example of an application to the collision of two stars. We end with some remarks about the future developments of the method and some of the applications in which it will be used in astrophysics.
International Nuclear Information System (INIS)
Loubere, Raphael; Maire, Pierre-Henri; Vachal, Pavel
2013-01-01
The aim of the present work is the 3D extension of a general formalism to derive a staggered discretization for Lagrangian hydrodynamics on unstructured grids. The classical compatible discretization is used; namely, momentum equation is discretized using the fundamental concept of subcell forces. Specific internal energy equation is obtained using total energy conservation. The subcell force is derived by invoking the Galilean invariance and thermodynamic consistency. A general form of the subcell force is provided so that a cell entropy inequality is satisfied. The subcell force consists of a classical pressure term plus a tensorial viscous contribution proportional to the difference between the node velocity and the cell-centered velocity. This cell-centered velocity is an extra degree of freedom solved with a cell-centered approximate Riemann solver. The second law of thermodynamics is satisfied by construction of the local positive definite subcell tensor involved in the viscous term. A particular expression of this tensor is proposed. A more accurate extension of this discretization both in time and space is also provided using a piecewise linear reconstruction of the velocity field and a predictor-corrector time discretization. Numerical tests are presented in order to assess the efficiency of this approach in 3D. Sanity checks show that the 3D extension of the 2D approach reproduces 1D and 2D results. Finally, 3D problems such as Sedov, Noh, and Saltzman are simulated. (authors)
Scalable Nonlinear Solvers for Fully Implicit Coupled Nuclear Fuel Modeling. Final Report
International Nuclear Information System (INIS)
Cai, Xiao-Chuan; Yang, Chao; Pernice, Michael
2014-01-01
The focus of the project is on the development and customization of some highly scalable domain decomposition based preconditioning techniques for the numerical solution of nonlinear, coupled systems of partial differential equations (PDEs) arising from nuclear fuel simulations. These high-order PDEs represent multiple interacting physical fields (for example, heat conduction, oxygen transport, solid deformation), each is modeled by a certain type of Cahn-Hilliard and/or Allen-Cahn equations. Most existing approaches involve a careful splitting of the fields and the use of field-by-field iterations to obtain a solution of the coupled problem. Such approaches have many advantages such as ease of implementation since only single field solvers are needed, but also exhibit disadvantages. For example, certain nonlinear interactions between the fields may not be fully captured, and for unsteady problems, stable time integration schemes are difficult to design. In addition, when implemented on large scale parallel computers, the sequential nature of the field-by-field iterations substantially reduces the parallel efficiency. To overcome the disadvantages, fully coupled approaches have been investigated in order to obtain full physics simulations.
Parareal in time 3D numerical solver for the LWR Benchmark neutron diffusion transient model
Energy Technology Data Exchange (ETDEWEB)
Baudron, Anne-Marie, E-mail: anne-marie.baudron@cea.fr [Laboratoire de Recherche Conventionné MANON, CEA/DEN/DANS/DM2S and UPMC-CNRS/LJLL (France); CEA-DRN/DMT/SERMA, CEN-Saclay, 91191 Gif sur Yvette Cedex (France); Lautard, Jean-Jacques, E-mail: jean-jacques.lautard@cea.fr [Laboratoire de Recherche Conventionné MANON, CEA/DEN/DANS/DM2S and UPMC-CNRS/LJLL (France); CEA-DRN/DMT/SERMA, CEN-Saclay, 91191 Gif sur Yvette Cedex (France); Maday, Yvon, E-mail: maday@ann.jussieu.fr [Sorbonne Universités, UPMC Univ Paris 06, UMR 7598, Laboratoire Jacques-Louis Lions and Institut Universitaire de France, F-75005, Paris (France); Laboratoire de Recherche Conventionné MANON, CEA/DEN/DANS/DM2S and UPMC-CNRS/LJLL (France); Brown Univ, Division of Applied Maths, Providence, RI (United States); Riahi, Mohamed Kamel, E-mail: riahi@cmap.polytechnique.fr [Laboratoire de Recherche Conventionné MANON, CEA/DEN/DANS/DM2S and UPMC-CNRS/LJLL (France); CMAP, Inria-Saclay and X-Ecole Polytechnique, Route de Saclay, 91128 Palaiseau Cedex (France); Salomon, Julien, E-mail: salomon@ceremade.dauphine.fr [CEREMADE, Univ Paris-Dauphine, Pl. du Mal. de Lattre de Tassigny, F-75016, Paris (France)
2014-12-15
In this paper we present a time-parallel algorithm for the 3D neutrons calculation of a transient model in a nuclear reactor core. The neutrons calculation consists in numerically solving the time dependent diffusion approximation equation, which is a simplified transport equation. The numerical resolution is done with finite elements method based on a tetrahedral meshing of the computational domain, representing the reactor core, and time discretization is achieved using a θ-scheme. The transient model presents moving control rods during the time of the reaction. Therefore, cross-sections (piecewise constants) are taken into account by interpolations with respect to the velocity of the control rods. The parallelism across the time is achieved by an adequate use of the parareal in time algorithm to the handled problem. This parallel method is a predictor corrector scheme that iteratively combines the use of two kinds of numerical propagators, one coarse and one fine. Our method is made efficient by means of a coarse solver defined with large time step and fixed position control rods model, while the fine propagator is assumed to be a high order numerical approximation of the full model. The parallel implementation of our method provides a good scalability of the algorithm. Numerical results show the efficiency of the parareal method on large light water reactor transient model corresponding to the Langenbuch–Maurer–Werner benchmark.
Parabolized stability equations
Herbert, Thorwald
1994-01-01
The parabolized stability equations (PSE) are a new approach to analyze the streamwise evolution of single or interacting Fourier modes in weakly nonparallel flows such as boundary layers. The concept rests on the decomposition of every mode into a slowly varying amplitude function and a wave function with slowly varying wave number. The neglect of the small second derivatives of the slowly varying functions with respect to the streamwise variable leads to an initial boundary-value problem that can be solved by numerical marching procedures. The PSE approach is valid in convectively unstable flows. The equations for a single mode are closely related to those of the traditional eigenvalue problems for linear stability analysis. However, the PSE approach does not exploit the homogeneity of the problem and, therefore, can be utilized to analyze forced modes and the nonlinear growth and interaction of an initial disturbance field. In contrast to the traditional patching of local solutions, the PSE provide the spatial evolution of modes with proper account for their history. The PSE approach allows studies of secondary instabilities without the constraints of the Floquet analysis and reproduces the established experimental, theoretical, and computational benchmark results on transition up to the breakdown stage. The method matches or exceeds the demonstrated capabilities of current spatial Navier-Stokes solvers at a small fraction of their computational cost. Recent applications include studies on localized or distributed receptivity and prediction of transition in model environments for realistic engineering problems. This report describes the basis, intricacies, and some applications of the PSE methodology.
International Nuclear Information System (INIS)
Li, Fei; Yu, Peicheng; Xu, Xinlu; Fiuza, Frederico; Decyk, Viktor K.
2017-01-01
In this study we present a customized finite-difference-time-domain (FDTD) Maxwell solver for the particle-in-cell (PIC) algorithm. The solver is customized to effectively eliminate the numerical Cerenkov instability (NCI) which arises when a plasma (neutral or non-neutral) relativistically drifts on a grid when using the PIC algorithm. We control the EM dispersion curve in the direction of the plasma drift of a FDTD Maxwell solver by using a customized higher order finite difference operator for the spatial derivative along the direction of the drift (1^ direction). We show that this eliminates the main NCI modes with moderate |k_1|, while keeps additional main NCI modes well outside the range of physical interest with higher |k_1|. These main NCI modes can be easily filtered out along with first spatial aliasing NCI modes which are also at the edge of the fundamental Brillouin zone. The customized solver has the possible advantage of improved parallel scalability because it can be easily partitioned along 1^ which typically has many more cells than other directions for the problems of interest. We show that FFTs can be performed locally to current on each partition to filter out the main and first spatial aliasing NCI modes, and to correct the current so that it satisfies the continuity equation for the customized spatial derivative. This ensures that Gauss’ Law is satisfied. Lastly, we present simulation examples of one relativistically drifting plasma, of two colliding relativistically drifting plasmas, and of nonlinear laser wakefield acceleration (LWFA) in a Lorentz boosted frame that show no evidence of the NCI can be observed when using this customized Maxwell solver together with its NCI elimination scheme.
Application of Nearly Linear Solvers to Electric Power System Computation
Grant, Lisa L.
To meet the future needs of the electric power system, improvements need to be made in the areas of power system algorithms, simulation, and modeling, specifically to achieve a time frame that is useful to industry. If power system time-domain simulations could run in real-time, then system operators would have situational awareness to implement online control and avoid cascading failures, significantly improving power system reliability. Several power system applications rely on the solution of a very large linear system. As the demands on power systems continue to grow, there is a greater computational complexity involved in solving these large linear systems within reasonable time. This project expands on the current work in fast linear solvers, developed for solving symmetric and diagonally dominant linear systems, in order to produce power system specific methods that can be solved in nearly-linear run times. The work explores a new theoretical method that is based on ideas in graph theory and combinatorics. The technique builds a chain of progressively smaller approximate systems with preconditioners based on the system's low stretch spanning tree. The method is compared to traditional linear solvers and shown to reduce the time and iterations required for an accurate solution, especially as the system size increases. A simulation validation is performed, comparing the solution capabilities of the chain method to LU factorization, which is the standard linear solver for power flow. The chain method was successfully demonstrated to produce accurate solutions for power flow simulation on a number of IEEE test cases, and a discussion on how to further improve the method's speed and accuracy is included.
S, Kyriacou; E, Kontoleontos; S, Weissenberger; L, Mangani; E, Casartelli; I, Skouteropoulou; M, Gattringer; A, Gehrer; M, Buchmayr
2014-03-01
An efficient hydraulic optimization procedure, suitable for industrial use, requires an advanced optimization tool (EASY software), a fast solver (block coupled CFD) and a flexible geometry generation tool. EASY optimization software is a PCA-driven metamodel-assisted Evolutionary Algorithm (MAEA (PCA)) that can be used in both single- (SOO) and multiobjective optimization (MOO) problems. In MAEAs, low cost surrogate evaluation models are used to screen out non-promising individuals during the evolution and exclude them from the expensive, problem specific evaluation, here the solution of Navier-Stokes equations. For additional reduction of the optimization CPU cost, the PCA technique is used to identify dependences among the design variables and to exploit them in order to efficiently drive the application of the evolution operators. To further enhance the hydraulic optimization procedure, a very robust and fast Navier-Stokes solver has been developed. This incompressible CFD solver employs a pressure-based block-coupled approach, solving the governing equations simultaneously. This method, apart from being robust and fast, also provides a big gain in terms of computational cost. In order to optimize the geometry of hydraulic machines, an automatic geometry and mesh generation tool is necessary. The geometry generation tool used in this work is entirely based on b-spline curves and surfaces. In what follows, the components of the tool chain are outlined in some detail and the optimization results of hydraulic machine components are shown in order to demonstrate the performance of the presented optimization procedure.
International Nuclear Information System (INIS)
Kyriacou S; Kontoleontos E; Weissenberger S; Mangani L; Casartelli E; Skouteropoulou I; Gattringer M; Gehrer A; Buchmayr M
2014-01-01
An efficient hydraulic optimization procedure, suitable for industrial use, requires an advanced optimization tool (EASY software), a fast solver (block coupled CFD) and a flexible geometry generation tool. EASY optimization software is a PCA-driven metamodel-assisted Evolutionary Algorithm (MAEA (PCA)) that can be used in both single- (SOO) and multiobjective optimization (MOO) problems. In MAEAs, low cost surrogate evaluation models are used to screen out non-promising individuals during the evolution and exclude them from the expensive, problem specific evaluation, here the solution of Navier-Stokes equations. For additional reduction of the optimization CPU cost, the PCA technique is used to identify dependences among the design variables and to exploit them in order to efficiently drive the application of the evolution operators. To further enhance the hydraulic optimization procedure, a very robust and fast Navier-Stokes solver has been developed. This incompressible CFD solver employs a pressure-based block-coupled approach, solving the governing equations simultaneously. This method, apart from being robust and fast, also provides a big gain in terms of computational cost. In order to optimize the geometry of hydraulic machines, an automatic geometry and mesh generation tool is necessary. The geometry generation tool used in this work is entirely based on b-spline curves and surfaces. In what follows, the components of the tool chain are outlined in some detail and the optimization results of hydraulic machine components are shown in order to demonstrate the performance of the presented optimization procedure
Katsaounis, T. D.
2005-02-01
equations in Diffpack can be used to derive fully implicit solvers for systems. The proposed techniques are illustrated in terms of two applications, namely a system of PDEs modelling pipeflow and a two-phase porous media flow. Stochastic PDEs is the topic of chapter 7. The first part of the chapter is a simple introduction to stochastic PDEs; basic analytical properties are presented for simple models like transport phenomena and viscous drag forces. The second part considers the numerical solution of stochastic PDEs. Two basic techniques are presented, namely Monte Carlo and perturbation methods. The last part explains how to implement and incorporate these solvers into Diffpack. Chapter 8 describes how to operate Diffpack from Python scripts. The main goal here is to provide all the programming and technical details in order to glue the programming environment of Diffpack with visualization packages through Python and in general take advantage of the Python interfaces. Chapter 9 attempts to show how to use numerical experiments to measure the performance of various PDE solvers. The authors gathered a rather impressive list, a total of 14 PDE solvers. Solvers for problems like Poisson, Navier--Stokes, elasticity, two-phase flows and methods such as finite difference, finite element, multigrid, and gradient type methods are presented. The authors provide a series of numerical results combining various solvers with various methods in order to gain insight into their computational performance and efficiency. In Chapter 10 the authors consider a computationally challenging problem, namely the computation of the electrical activity of the human heart. After a brief introduction on the biology of the problem the authors present the mathematical models involved and a numerical method for solving them within the framework of Diffpack. Chapter 11 and 12 are closely related; actually they could have been combined in a single chapter. Chapter 11 introduces several mathematical
Parallel implementations of 2D explicit Euler solvers
International Nuclear Information System (INIS)
Giraud, L.; Manzini, G.
1996-01-01
In this work we present a subdomain partitioning strategy applied to an explicit high-resolution Euler solver. We describe the design of a portable parallel multi-domain code suitable for parallel environments. We present several implementations on a representative range of MlMD computers that include shared memory multiprocessors, distributed virtual shared memory computers, as well as networks of workstations. Computational results are given to illustrate the efficiency, the scalability, and the limitations of the different approaches. We discuss also the effect of the communication protocol on the optimal domain partitioning strategy for the distributed memory computers
Fast Multipole-Based Elliptic PDE Solver and Preconditioner
Ibeid, Huda
2016-12-07
Exascale systems are predicted to have approximately one billion cores, assuming Gigahertz cores. Limitations on affordable network topologies for distributed memory systems of such massive scale bring new challenges to the currently dominant parallel programing model. Currently, there are many efforts to evaluate the hardware and software bottlenecks of exascale designs. It is therefore of interest to model application performance and to understand what changes need to be made to ensure extrapolated scalability. Fast multipole methods (FMM) were originally developed for accelerating N-body problems for particle-based methods in astrophysics and molecular dynamics. FMM is more than an N-body solver, however. Recent efforts to view the FMM as an elliptic PDE solver have opened the possibility to use it as a preconditioner for even a broader range of applications. In this thesis, we (i) discuss the challenges for FMM on current parallel computers and future exascale architectures, with a focus on inter-node communication, and develop a performance model that considers the communication patterns of the FMM for spatially quasi-uniform distributions, (ii) employ this performance model to guide performance and scaling improvement of FMM for all-atom molecular dynamics simulations of uniformly distributed particles, and (iii) demonstrate that, beyond its traditional use as a solver in problems for which explicit free-space kernel representations are available, the FMM has applicability as a preconditioner in finite domain elliptic boundary value problems, by equipping it with boundary integral capability for satisfying conditions at finite boundaries and by wrapping it in a Krylov method for extensibility to more general operators. Compared with multilevel methods, FMM is capable of comparable algebraic convergence rates down to the truncation error of the discretized PDE, and it has superior multicore and distributed memory scalability properties on commodity
A Parallel Algebraic Multigrid Solver on Graphics Processing Units
Haase, Gundolf
2010-01-01
The paper presents a multi-GPU implementation of the preconditioned conjugate gradient algorithm with an algebraic multigrid preconditioner (PCG-AMG) for an elliptic model problem on a 3D unstructured grid. An efficient parallel sparse matrix-vector multiplication scheme underlying the PCG-AMG algorithm is presented for the many-core GPU architecture. A performance comparison of the parallel solver shows that a singe Nvidia Tesla C1060 GPU board delivers the performance of a sixteen node Infiniband cluster and a multi-GPU configuration with eight GPUs is about 100 times faster than a typical server CPU core. © 2010 Springer-Verlag.
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Directory of Open Access Journals (Sweden)
P. Fogués Zornoza
2012-04-01
Full Text Available In this paper, we present an example of linear optimization in the context of degrees in Economics or Business Administration and Management. We show techniques that enable students to go deep and investigate in real problems that have been modelled using the Excel platform. The model shown here has been developed by a student and it consists in minimizing the absolute deviations over the average expected return of a portfolio of securities, using the solver tool that it is included in this software.
Vears, R E
2014-01-01
Microprocessor Interfacing provides the coverage of the Business and Technician Education Council level NIII unit in Microprocessor Interfacing (syllabus U86/335). Composed of seven chapters, the book explains the foundation in microprocessor interfacing techniques in hardware and software that can be used for problem identification and solving. The book focuses on the 6502, Z80, and 6800/02 microprocessor families. The technique starts with signal conditioning, filtering, and cleaning before the signal can be processed. The signal conversion, from analog to digital or vice versa, is expl
Tricomi, FG
2013-01-01
Based on his extensive experience as an educator, F. G. Tricomi wrote this practical and concise teaching text to offer a clear idea of the problems and methods of the theory of differential equations. The treatment is geared toward advanced undergraduates and graduate students and addresses only questions that can be resolved with rigor and simplicity.Starting with a consideration of the existence and uniqueness theorem, the text advances to the behavior of the characteristics of a first-order equation, boundary problems for second-order linear equations, asymptotic methods, and diff