Please use this identifier to cite or link to this item:
https://zone.biblio.laurentian.ca/handle/10219/2703
Title: | Parallelization of Molecular-Dynamics Simulations Using Tasks |
Authors: | Meyer, Ralf Mangiardi, Chris M. |
Keywords: | molecular dynamics simulations;parallel computing |
Issue Date: | Feb-2015 |
Publisher: | Cambridge University Press |
Citation: | Meyer, R. and Mangiardi, Chris M. Parallelization of Molecular-Dynamics Simulations Using Tasks, MRS Proceedings, 1753 (2015). doi: 10.1557/opl.2015.113. |
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. |
Description: | Copyright: © 2015 Materials Research Society |
URI: | https://doi.org/10.1557/opl.2015.113 https://zone.biblio.laurentian.ca/handle/10219/2703 |
Appears in Collections: | Articles Articles |
Files in This Item:
File | Description | Size | Format | |
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MRS_Boston_2014.pdf | 1.55 MB | Adobe PDF | View/Open |
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