research data . Dataset . 2020

Supplementary Information for Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS

Szilárd Páll;
Open Access
  • Published: 14 Jun 2020
  • Publisher: Zenodo
Abstract
Supplementary information for Páll, S., Zhmurov, A., Bauer, P., Abraham, M., Lundborg, M., Gray, A., Hess, B, & Lindahl, E.. (2020). Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS. The Journal of Chemical Physics, 2020 Contains benchmark methodology description as well as all inputs used in the application performance benchmarks included the paper.
Subjects
free text keywords: GROMACS, molecular dynamics, benchmarks
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Open Access
ZENODO
Dataset . 2020
Providers: ZENODO
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