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|Title:||Parallelization of Molecular-Dynamics Simulations Using Tasks|
Mangiardi, Chris M.
|Keywords:||molecular dynamics simulations;parallel computing|
|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|
|Appears in Collections:||Articles|
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