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Numerical methods and programming, 2009, Volume 10, Issue 2, Pages 158–175 (Mi vmp367)  
This article is cited in 1 scientific paper (total in 1 paper)

Вычислительные методы и приложения

Parallel molecular dynamics with Ewald summation and integration on GPU

A. S. Boyarchenkova, S. I. Potashnikovb

a Institute of Mathematics of the Ural Branch of RAS
b Ural State Technical University, Ekaterinburg
Full-text PDF (289 kB) Citations (1)
Abstract: The problem of molecular dynamics simulation with periodic boundary conditions is considered. Efficient algorithms for the Ewald summation method are discussed. Parallel implementations on GPU with NVIDIA CUDA technology are proposed. The integration of motion equations on GPU with single and double precision of floating point arithmetic is analyzed. On an NVIDIA GeForce GTX 280 video card, a remarkable speed-up up to 890 times is achieved compared to a scalar code running on Intel Core 2 Quad Q9550 CPU.
Keywords: molecular dynamics; Ewald summation; parallel computing; graphics processors; CUDA.
Document Type: Article
UDC: 004.021:004.94:519.683:519.684:544.223
Language: Russian
Citation: A. S. Boyarchenkov, S. I. Potashnikov, “Parallel molecular dynamics with Ewald summation and integration on GPU”, Num. Meth. Prog., 10:2 (2009), 158–175
Citation in format AMSBIB
\Bibitem{BoyPot09}
\by A.~S.~Boyarchenkov, S.~I.~Potashnikov
\paper Parallel molecular dynamics with Ewald summation and integration on GPU
\jour Num. Meth. Prog.
\yr 2009
\vol 10
\issue 2
\pages 158--175
\mathnet{http://mi.mathnet.ru/vmp367}
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  • https://www.mathnet.ru/eng/vmp/v10/i2/p158
    • This publication is cited in the following 1 articles:
    Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
    		Numerical methods and programming
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