Parallelization of Molecular-Dynamics Simulations Using Tasks

Please use this identifier to cite or link to this item: https://zone.biblio.laurentian.ca/handle/10219/2703

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DC Field	Value	Language
dc.contributor.author	Meyer, Ralf	-
dc.contributor.author	Mangiardi, Chris M.	-
dc.date.accessioned	2017-02-11T00:06:05Z	-
dc.date.available	2017-02-11T00:06:05Z	-
dc.date.issued	2015-02	-
dc.identifier.citation	Meyer, R. and Mangiardi, Chris M. Parallelization of Molecular-Dynamics Simulations Using Tasks, MRS Proceedings, 1753 (2015). doi: 10.1557/opl.2015.113.	en_CA
dc.identifier.uri	https://doi.org/10.1557/opl.2015.113	-
dc.identifier.uri	https://zone.biblio.laurentian.ca/handle/10219/2703	-
dc.description	Copyright: © 2015 Materials Research Society	en_CA
dc.description.abstract	This article discusses novel algorithms for molecular-dynamics (MD) simulations with short-ranged forces on modern multi- and many-core processors like the Intel Xeon Phi. A task-based approach to the parallelization of MD on shared-memory computers and a tiling scheme to facilitate the SIMD vectorization of the force calculations is described. The algorithms have been tested with three different potentials and the resulting speed-ups on Intel Xeon Phi coprocessors are shown.	en_CA
dc.description.sponsorship	Natural Sciences and Engineering Research Council of Canada (NSERC) [grant number 371446-11], Laurentian University	en_CA
dc.language.iso	en	en_CA
dc.publisher	Cambridge University Press	en_CA
dc.subject	molecular dynamics simulations	en_CA
dc.subject	parallel computing	en_CA
dc.title	Parallelization of Molecular-Dynamics Simulations Using Tasks	en_CA
dc.type	Article	en_CA
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