Enhanced molecular dynamics performance with a programmable graphics processor
Department of Physics, Bar-Ilan University, Ramat-Gan 52900, Israel
arXiv:0911.5631 [physics.comp-ph] (3 Jun 2010)
@article{rapaport2009enhanced,
title={Enhanced molecular dynamics performance with a programmable graphics processor},
author={Rapaport, DC},
journal={Arxiv preprint arXiv:0911.5631},
year={2009}
}
Design considerations for molecular dynamics algorithms capable of taking advantage of the computational power of a graphics processing unit (GPU) are described. Accommodating the constraints of scalable streaming-multiprocessor hardware necessitates a reformulation of the underlying algorithm. Performance measurements demonstrate the considerable benefit and cost-effectiveness of such an approach, which produces a factor of 2.5 speed improvement over previous work for the case of the soft-sphere potential.
November 13, 2010 by hgpu
