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dc.contributor.authorMeyer, Ralf-
dc.identifier.citationR. Meyer, Efficient parallelization of molecular dynamics simulations with short-ranged forces, J. Phys.: Conf. Series 540, 012006 (2014).en_CA
dc.descriptionPublished under license in Journal of Physics: Conference Series.en_CA
dc.description.abstractRecently, 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.en_CA
dc.description.sponsorshipNatural Sciences and Engineering Research Council of Canada (NSERC) [grant number 371446-11], Laurentian Universityen_CA
dc.publisherIOP Publishing Ltd.en_CA
dc.subjectmolecular dynamics simulationsen_CA
dc.subjectparallel computingen_CA
dc.titleEfficient parallelization of molecular dynamics simulations with short-ranged forcesen_CA
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