BWhat changed
A mature molecular-simulation engine was organized for several complementary hardware parallel scales.
Scientific scope
2015 seven-author GROMACS 5 paper and benchmark conditions; older/later versions and all simulations excluded.
Evidence
The linked sources identify this contribution and its scope. WRS has not independently reconstructed the scientific claims. The record is the exact seven-author 2015 SoftwareX paper and the GROMACS 5 architecture and performance it reports. Earlier and later versions, the wider developer community, benchmark conditions and scientific findings made with the software remain separate.
Contributors
- Mark James Abraham · SCIENCE: Named source author of the scoped work; individual effort shares are not measured.
- Teemu Murtola · SCIENCE: Named source author of the scoped work; individual effort shares are not measured.
- Roland Schulz · SCIENCE: Named source author of the scoped work; individual effort shares are not measured.
- Szilárd Páll · SCIENCE: Named source author of the scoped work; individual effort shares are not measured.
- Jeremy C. Smith · SCIENCE: Named source author of the scoped work; individual effort shares are not measured.
- Berk Hess · SCIENCE: Named source author of the scoped work; individual effort shares are not measured.
- Erik Lindahl · SCIENCE: Named source author of the scoped work; individual effort shares are not measured.
- Crossref record for GROMACS multi-level parallelism
- Abraham et al., GROMACS: High performance molecular simulations
Provisional WRS assessment, edition 2026-10-16.1. Independent expert calibration is pending. This grade does not certify correctness or assign ownership.
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