4.7 Article

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

Journal

COMPUTER PHYSICS COMMUNICATIONS
Volume 185, Issue 2, Pages 495-503

Publisher

ELSEVIER
DOI: 10.1016/j.cpc.2013.10.004

Keywords

Multiparticle collision dynamics; CUDA; GPU; Mesoscale hydrodynamic simulations

Funding

  1. Deutsche Forschungsgemeinschaft (DFG) through the Collaborative Research Center Physics of Colloidal Dispersions in External Fields [SFB TR6]
  2. EU through the Collaborative Research Project Nano Direct [NMP4-SL-2008-213948]

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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.

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