Please use this identifier to cite or link to this item: https://zone.biblio.laurentian.ca/handle/10219/2701
Title: Efficient parallelization of molecular dynamics simulations with short-ranged forces
Authors: Meyer, Ralf
Item Type: Article
Keywords: molecular dynamics simulations;parallel computing
Issue Date: 2014
Publisher: IOP Publishing Ltd.
Citation: R. Meyer, Efficient parallelization of molecular dynamics simulations with short-ranged forces, J. Phys.: Conf. Series 540, 012006 (2014).
Abstract: Recently, an alternative strategy for the parallelization of molecular dynamics simulations with short-ranged forces has been proposed. In this work, this algorithm is tested on a variety of multi-core systems using three types of benchmark simulations. The results show that the new algorithm gives consistent speedups which are depending on the properties of the simulated system either comparable or superior to those obtained with spatial decomposition. Comparisons of the parallel speedup on different systems indicates that on multi-core machines the parallel efficiency of the method is mainly limited by memory access speed.
Description: Published under license in Journal of Physics: Conference Series.
URI: https://doi.org/10.1088/1742-6596/540/1/012006
https://zone.biblio.laurentian.ca/handle/10219/2701
ISSN: 1742-6596
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