International Journal Open Access

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

Authors

M Abraham, Teemu Johannes Murtola, Roland Schulz, Szilárd Páll, Jeremy C. Smith, Berk Hess, Erik R. Lindahl

Journal

SoftwareX

Year Published

2015

Publisher

Elsevier BV

Citations

27088 citations

Type

Software-Paper

Language

EN

Topics & Concepts

Computer science (0.84) Parallelism (grammar) (0.72) Parallel computing (0.67) Data parallelism (0.48) Supercomputer (0.47)

Abstract

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers - Full text available via OpenAlex

Author Details

M Abraham

ORCID

Teemu Johannes Murtola

ORCID

Roland Schulz

ORCID

Szilárd Páll

ORCID

Jeremy C. Smith

ORCID

Berk Hess

ORCID

Erik R. Lindahl

ORCID

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