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Matem. Mod., 2014, Volume 26, Number 1, Pages 69–82 (Mi mm3439)  

This article is cited in 2 scientific papers (total in 2 papers)

Testing of multi-cores graphic processors by molecular dynamics algorithm

E. M. Pestryaev

Ufa State Petroleum Technological University

Abstract: The testing of multi-cores graphic processors was made by the most difficult off-lattice algorithm of molecular dynamics simulation, i.e. computation of inter-particle distances. Some video cards NVIDIA GeForce with number of cores from 64 to 512 operating on various frequencies and specialized computing processor Tesla C 2050 were used. All tested processors have the same architecture and are able to execute binary code made by CUDA C. The relative performance of the algorithm executed by any tested graphic processor essentially increases with computational effort due to the growth as the number of the system particles as the cut radius of inter-particle interaction. The top video card performance value reaches 90 in comparison with the algorithm execution by one core of 2.2 GHz CPU in spite of the CPU executable code was made by optimizing C++ compiler of MS Visual Studio 2008. The reduced to frequency relative performance as a function of the video card core number is well described by Amdahls law.

Keywords: molecular dynamics, graphic processor, parallel algorithm, Amdahls law, GPU, CUDA.

Full text: PDF file (317 kB)
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Document Type: Article
UDC: 514(64+24): 535.135
Received: 20.03.2012

Citation: E. M. Pestryaev, “Testing of multi-cores graphic processors by molecular dynamics algorithm”, Matem. Mod., 26:1 (2014), 69–82

Citation in format AMSBIB
\Bibitem{Pes14}
\by E.~M.~Pestryaev
\paper Testing of multi-cores graphic processors by molecular dynamics algorithm
\jour Matem. Mod.
\yr 2014
\vol 26
\issue 1
\pages 69--82
\mathnet{http://mi.mathnet.ru/mm3439}


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    Citing articles on Google Scholar: Russian citations, English citations
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    This publication is cited in the following articles:
    1. V. O. Podryga, S. V. Polyakov, “Molecular dynamic simulation of thermodynamic equilibrium for nickel system”, Math. Models Comput. Simul., 7:5 (2015), 456–466  mathnet  crossref  elib
    2. Grigory S. Smirnov, Vladimir V. Stegailov, “Efficiency of classical molecular dynamics algorithms on supercomputing hardware”, Math. Models Comput. Simul., 8:6 (2016), 734–743  mathnet  crossref  elib
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