Multiparticle collision dynamics: GPU accelerated particle-based mesoscale hydrodynamic simulations

被引:47
|
作者
Westphal, E. [1 ,2 ]
Singh, S. P. [3 ]
Huang, C. -C. [3 ]
Gompper, G. [3 ,4 ]
Winkler, R. G. [4 ]
机构
[1] Forschungszentrum Julich, Peter Grunberg Inst, D-52425 Julich, Germany
[2] Forschungszentrum Julich, Julich Ctr Neutron Sci, D-52425 Julich, Germany
[3] Forschungszentrum Julich, Inst Complex Syst, D-52425 Julich, Germany
[4] Forschungszentrum Julich, Inst Adv Simulat, D-52425 Julich, Germany
关键词
Multiparticle collision dynamics; CUDA; GPU; Mesoscale hydrodynamic simulations; RED-BLOOD-CELLS; MOLECULAR-DYNAMICS; TRANSPORT-COEFFICIENTS; MESOSCOPIC MODEL; STAR POLYMERS; FLOW; COLLOIDS; GENERATION; VESICLES; EQUATION;
D O I
10.1016/j.cpc.2013.10.004
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
The Compute Unified Device Architecture (CUDA) programming language on a graphics processing unit (GPU) is exploited to develop a GPU-based simulation program for the multiparticle collision dynamics (MPC) approach, a particle-based mesoscale hydrodynamic simulation technique. The coarse-grained description of the fluid dynamics in terms of ballistic motion and local stochastic interactions of particles renders MPC inherently highly parallel. We achieve a 1-2 orders of magnitude performance gain over a comparable CPU-core version of the algorithm, depending on the implementation (single threaded or OpenMP). Various aspects of the implementation are discussed in the context of an optimized performance. (C) 2013 Elsevier B.V. All rights reserved.
引用
收藏
页码:495 / 503
页数:9
相关论文
共 50 条
  • [1] Efficient mesoscale hydrodynamics: Multiparticle collision dynamics with massively parallel GPU acceleration
    Howard, Michael P.
    Panagiotopoulos, Athanassios Z.
    Nikoubashman, Arash
    COMPUTER PHYSICS COMMUNICATIONS, 2018, 230 : 10 - 20
  • [2] Hydrodynamic correlations in multiparticle collision dynamics fluids
    Huang, Chien-Cheng
    Gompper, Gerhard
    Winkler, Roland G.
    PHYSICAL REVIEW E, 2012, 86 (05):
  • [3] Multi-Particle Collision Dynamics: A Particle-Based Mesoscale Simulation Approach to the Hydrodynamics of Complex Fluids
    Gompper, G.
    Ihle, T.
    Kroll, D. M.
    Winkler, R. G.
    ADVANCED COMPUTER SIMULATION APPROACHES FOR SOFT MATTER SCIENCES III, 2009, 221 : 1 - 87
  • [4] Hydrodynamic correlations of viscoelastic fluids by multiparticle collision dynamics simulations
    Toneian, David
    Kahl, Gerhard
    Gompper, Gerhard
    Winkler, Roland G.
    JOURNAL OF CHEMICAL PHYSICS, 2019, 151 (19)
  • [5] Hydrodynamics in adaptive resolution particle simulations: Multiparticle collision dynamics
    Alekseeva, Uliana
    Winkler, Roland G.
    Sutmann, Godehard
    JOURNAL OF COMPUTATIONAL PHYSICS, 2016, 314 : 14 - 34
  • [6] HTMPC: A heavily templated C plus plus library for large scale particle-based mesoscale hydrodynamics simulations using multiparticle collision dynamics
    Westphal, Elmar
    Goh, Segun
    Winkler, Roland G.
    Gompper, Gerhard
    COMPUTER PHYSICS COMMUNICATIONS, 2025, 309
  • [7] Thermostat for nonequilibrium multiparticle-collision-dynamics simulations
    Huang, Chien-Cheng
    Varghese, Anoop
    Gompper, Gerhard
    Winkler, Roland G.
    PHYSICAL REVIEW E, 2015, 91 (01):
  • [8] Accelerating a Novel Particle-based Fluid Simulation on the GPU
    Chen, Zhilu
    Kingsley, James
    Huang, Xinming
    Tuezel, Erkan
    2013 IEEE CONFERENCE ON HIGH PERFORMANCE EXTREME COMPUTING (HPEC), 2013,
  • [9] Hydrodynamic interactions between solutes in multiparticle collision dynamics
    Dahirel, Vincent
    Zhao, Xudong
    Couet, Baptiste
    Batot, Guillaume
    Jardat, Marie
    PHYSICAL REVIEW E, 2018, 98 (05)
  • [10] Particle-based Semiconductor Device Simulation Accelerated by GPU computing
    Suzuki, Akito
    Kamioka, Takefumi
    Kamakura, Yoshinari
    Watanabe, Takanobu
    JOURNAL OF ADVANCED SIMULATION IN SCIENCE AND ENGINEERING, 2015, 2 (01): : 211 - 224