Труды Института механики им. Р.Р. Мавлютова

Электронный научный журнал | Electronic Scientific Journal

Proceedings of the Mavlyutov Institute of Mechanics

ISSN 2542–0380
DOI 10.21662

Marin D.F. Usage of graphics processing units for solving molecular dynamics problems [in Russian] Proceedings of the Institute of Mechanics of Ufa Branch of RAS. 8 (2011). 182–188.

2011. Vol. 8. Issue 1, Pp. 182–188
URL: http://proc.uimech.org/uim2011.1.017
DOI: 10.21662/uim2011.1.017

Usage of graphics processing units for solving molecular dynamics problems

Marin D.F.

Institute of Mechanics, Ufa
Center for Micro- and Nanoscale Dynamics of Dispersed Systems, Bashkir State University, Ufa

Abstract

The paper presents results on performance and efficiency of GPU utilization in a simulation of molecular dynamics processes. The simulation was done with the usage of Lennard-Jones potential and leapfrog computational scheme.