What is recorded here?
Described the GROMACS 5 molecular-simulation engine and its multi-level parallel design spanning SIMD, threads, CPU-GPU acceleration, domain decomposition and ensemble parallelism.
Source-linked catalogue note. A detailed explanatory guide has not yet been prepared for this entry.
Scientific scope
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.
Read the original work
- Crossref record for GROMACS multi-level parallelism
- Abraham et al., GROMACS: High performance molecular simulations
This English explanation is an editorial reading view. It does not replace the complete original work or certify its science.
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People and systems
Mark James Abraham; Teemu Murtola; Roland Schulz; Szilárd Páll; Jeremy C. Smith; Berk Hess; Erik Lindahl
The named authors contributed to this scoped work; individual effort shares and later applications are not assigned by the byline.
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English catalogue narrative
Abraham and colleagues: multi-level parallelism in GROMACS
Described the GROMACS 5 molecular-simulation engine and its multi-level parallel design spanning SIMD, threads, CPU-GPU acceleration, domain decomposition and ensemble parallelism.
Scientific scope
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.
Reading status
This is a source-linked WRS catalogue note. A full explanatory guide and independent scientific reconstruction have not been completed for this entry. Read the identified original work for its complete narrative and arguments.
People and systems
Mark James Abraham; Teemu Murtola; Roland Schulz; Szilárd Páll; Jeremy C. Smith; Berk Hess; Erik Lindahl
The named authors contributed to this scoped work; individual effort shares and later applications are not assigned by the byline.