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.
Original language | English (US) |
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Pages (from-to) | 426-431 |
Number of pages | 6 |
Journal | Computer Physics Communications |
Volume | 177 |
Issue number | 5 |
DOIs | |
State | Published - Sep 1 2007 |
Keywords
- 3D fast Fourier transform
- Parallel molecular dynamics simulation
- Smooth particle mesh Ewald method
ASJC Scopus subject areas
- Hardware and Architecture
- General Physics and Astronomy