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An adaptive load balancing method for parallel molecular dynamics simulations. (English) Zbl 1032.81502

Summary: The authors 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. They tested the method on standard short-ranged parallel molecular dynamics calculations. The performance gain observed confirms the value of the method for this type of calculation. The authors discuss possible generalizations of the method, for example, to higher dimensions.

MSC:

81-08 Computational methods for problems pertaining to quantum theory
81V55 Molecular physics
Full Text: DOI

References:

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