Heterogeneous parallelization and acceleration of molecular dynamics simulations in GROMACS

The introduction of accelerator devices such as graphics processing units (GPUs) has had profound impact on molecular dynamics simulations and has enabled order-of-magnitude performance advances using commodity hardware. To fully reap these benefits, it has been necessary to reformulate some of the...

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Bibliographic Details

Published in:	The Journal of chemical physics Vol. 153; no. 13; p. 134110
Main Authors:	Páll, Szilárd, Zhmurov, Artem, Bauer, Paul, Abraham, Mark, Lundborg, Magnus, Gray, Alan, Hess, Berk, Lindahl, Erik
Format:	Journal Article
Language:	English
Published:	07.10.2020
ISSN:	1089-7690, 1089-7690
Online Access:	Get more information
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