On the use of graphics processing units (GPUs) for molecular dynamics simulation of spherical particles

R.C. Hidalgo, T. Kanzaki, F. Alonso-Marroquin, Stefan Luding

Research output: Chapter in Book/Report/Conference proceedingConference contributionAcademicpeer-review

9 Citations (Scopus)
2 Downloads (Pure)

Abstract

General-purpose computation on Graphics Processing Units (GPU) on personal computers has recently become an attractive alternative to parallel computing on clusters and supercomputers. We present the GPU-implementation of an accurate molecular dynamics algorithm for a system of spheres. The new hybrid CPU-GPU implementation takes into account all the degrees of freedom, including the quaternion representation of 3D rotations. For additional versatility, the contact interaction between particles is defined using a force law of enhanced generality, which accounts for the elastic and dissipative interactions, and the hard-sphere interaction parameters are translated to the soft-sphere parameter set. We prove that the algorithm complies with the statistical mechanical laws by examining the homogeneous cooling of a granular gas with rotation. The results are in excellent agreement with well established mean-field theories for low-density hard sphere systems. This GPU technique dramatically reduces user waiting time, compared with a traditional CPU implementation.
Original languageEnglish
Title of host publicationPowders and Grains 2013
Subtitle of host publicationProceedings of the 7th International Conference on Micromechanics of Granular Media
EditorsAibing Yu, Kejun Dong, Runyu Yang, Stefan Luding
PublisherAIP Publishing LLC
Pages169-172
ISBN (Print)978-0-7354-1166-1
DOIs
Publication statusPublished - 8 Jul 2013
Event7th International Conference on Micromechanics of Granular Media, Powders and Grains 2013 - Sydney, Australia
Duration: 8 Jul 201312 Jul 2013
Conference number: 7
http://www.pg2013.unsw.edu.au/

Publication series

NameAIP conference proceedings
PublisherAIP Publishing
Volume1542
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference7th International Conference on Micromechanics of Granular Media, Powders and Grains 2013
Abbreviated titlePowders & Grains
CountryAustralia
CitySydney
Period8/07/1312/07/13
Internet address

Keywords

  • MD
  • DEM
  • Homogeneous cooling
  • Friction and rotations
  • Numerical methods
  • GPU

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