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Proceedings of the Mavlyutov Institute of Mechanics


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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.