An efficient parallel implementation of the smooth particle mesh Ewald method for molecular dynamics simulations

Oh, KJ (Oh, Kwang Jin); Deng, Y (Deng, Yuefan)

COMPUTER PHYSICS COMMUNICATIONS, 177 (5): 426-431 SEP 1 2007

DOI: 10.1016/j.cpc.2007.05.005

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. (c) 2007 Elsevier B.V. All rights reserved.

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