Harvesting graphics power for MD simulations

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dc.creatorvan Meel, J. A.
dc.creatorArnold, A.
dc.creatorFrenkel, D.
dc.creatorZwart, S. F. Portegies
dc.creatorBelleman, R. G.
dc.date2007-09-20
dc.date.accessioned2026-07-07T10:01:31Z
dc.date.available2026-07-07T10:01:31Z
dc.descriptionWe discuss an implementation of molecular dynamics (MD) simulations on a graphic processing unit (GPU) in the NVIDIA CUDA language. We tested our code on a modern GPU, the NVIDIA GeForce 8800 GTX. Results for two MD algorithms suitable for short-ranged and long-ranged interactions, and a congruential shift random number generator are presented. The performance of the GPU's is compared to their main processor counterpart. We achieve speedups of up to 80, 40 and 150 fold, respectively. With newest generation of GPU's one can run standard MD simulations at 10^7 flops/$.
dc.description12 pages, 5 figures. Submitted to Mol. Sim
dc.identifierhttps://arxiv.org/abs/0709.3225
dc.identifierhttp://arxiv.org/abs/0709.3225
dc.identifierMol. Sim. 34, p259 - 266, 2008
dc.identifierdoi:10.1080/08927020701744295
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/168657
dc.subjectOther Condensed Matter
dc.subjectSoft Condensed Matter
dc.titleHarvesting graphics power for MD simulations
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