Parallel replica method for dynamics of infrequent events
Journal Article
·
· Physical Review, B: Condensed Matter
- Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)
Although molecular-dynamics simulations can be parallelized effectively to treat large systems (10{sup 6}{endash}10{sup 8} atoms), to date the power of parallel computers has not been harnessed to make analogous gains in {ital time} scale. I present a simple approach for infrequent-event systems that extends the time scale with high parallel efficiency. Integrating a replica of the system independently on each processor until the first transition occurs gives the correct transition-time distribution, and hence the correct dynamics. I obtain {gt}90{percent} efficiency simulating Cu(100) surface vacancy diffusion on 15 processors. {copyright} {ital 1998} {ital The American Physical Society}
- OSTI ID:
- 634228
- Journal Information:
- Physical Review, B: Condensed Matter, Vol. 57, Issue 22; Other Information: PBD: Jun 1998
- Country of Publication:
- United States
- Language:
- English
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