An efficient parallel implementation of the smooth particle mesh Ewald method for molecular dynamics simulations |
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| Authors: | Kwang Jin Oh Yuefan Deng |
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| Affiliation: | a Supercomputing Center, Korea Institute of Science and Technology Information, Daejeon, Republic of Korea 305-806
b Department of Applied Mathematics, Stony Brook University, Stony Brook, NY 11794-3600, USA |
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| Abstract: | This paper focuses on the implementation and the performance analysis of a smooth particle mesh Ewald method on several parallel computers. We present the details of the algorithms and our implementation that are used to optimize parallel efficiency on such parallel computers. |
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| Keywords: | 02.70.Ns 07.05.Tp |
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