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An Adaptive Load Balancing Method for Parallel Molecular Dynamics Simulations

✍ Scribed by Yuefan Deng; Ronald F. Peierls; Carlos Rivera

Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
222 KB
Volume
161
Category
Article
ISSN
0021-9991

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✦ Synopsis

We describe an adaptive method for achieving load balance in parallel computations simulating phenomena which are distributed over a spatially extended region, but are local in nature. We have tested the method on standard short-ranged parallel molecular dynamics calculations. The performance gain we observe confirms the value of the method for this type of calculation. We discuss possible generalizations of the method, for example, to higher dimensions.

πŸ“œ SIMILAR VOLUMES

OOPSE: An object-oriented parallel simul
OOPSE: An object-oriented parallel simulation engine for molecular dynamics
✍ Matthew A. Meineke; Charles F. Vardeman II; Teng Lin; Christopher J. Fennell; J. πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 275 KB

## Abstract OOPSE is a new molecular dynamics simulation program that is capable of efficiently integrating equations of motion for atom types with orientational degrees of freedom (e.g. β€œsticky” atoms and point dipoles). Transition metals can also be simulated using the embedded atom method (EAM)