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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Vydané v:	The Journal of chemical physics Ročník 153; číslo 13; s. 134110
Hlavní autori:	Páll, Szilárd, Zhmurov, Artem, Bauer, Paul, Abraham, Mark, Lundborg, Magnus, Gray, Alan, Hess, Berk, Lindahl, Erik
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	07.10.2020
ISSN:	1089-7690, 1089-7690
On-line prístup:	Zistit podrobnosti o prístupe
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