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Earlier and later versions, the wider developer community, benchmark conditions and scientific findings made with the software remain separate.", "domain": "Scientific and high-performance computing" }, "sources": [ { "citation": "Crossref record for GROMACS multi-level parallelism", "url": "https://api.crossref.org/works/10.1016%2Fj.softx.2015.06.001" }, { "citation": "Abraham et al., GROMACS: High performance molecular simulations", "url": "https://kth.diva-portal.org/smash/get/diva2%3A1303357/FULLTEXT01.pdf" } ], "statement": "# Abraham and colleagues: multi-level parallelism in GROMACS\n\nDescribed the GROMACS 5 molecular-simulation engine and its multi-level parallel design spanning SIMD, threads, CPU-GPU acceleration, domain decomposition and ensemble parallelism.\n\n## Scientific scope\n\nThe 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.\n\n## Reading status\n\nThis 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.\n\n## People and systems\n\nMark James Abraham; Teemu Murtola; Roland Schulz; Szilárd Páll; Jeremy C. Smith; Berk Hess; Erik Lindahl\n\nThe named authors contributed to this scoped work; individual effort shares and later applications are not assigned by the byline.\n\n\n\n## Original sources\n\n- [Crossref record for GROMACS multi-level parallelism](https://api.crossref.org/works/10.1016%2Fj.softx.2015.06.001)\n- [Abraham et al., GROMACS: High performance molecular simulations](https://kth.diva-portal.org/smash/get/diva2%3A1303357/FULLTEXT01.pdf)\n", "summary": "Described the GROMACS 5 molecular-simulation engine and its multi-level parallel design spanning SIMD, threads, CPU-GPU acceleration, domain decomposition and ensemble parallelism.", "title": "Abraham and colleagues: multi-level parallelism in GROMACS" }, "record_id": "urn:uuid:504e3eb2-ff9c-4e30-a836-5bcb3378f457", "version": 1, "source_ref": { "record_id": "urn:uuid:504e3eb2-ff9c-4e30-a836-5bcb3378f457", "version": 1, "content_hash": "sha256:a6d8a4cb506e9884af10ac199e45ec533f2811b7d2804bbce66e7dfa2ec8cccf" }, "export_view": "wrs-public-editorial-view-1", "public_view_hash": "sha256:a2484a4b6b663808785ae9b7660f8e9a054a54c03c7ee6930f849c8f01586fa8" }, "target": { "record_id": "urn:uuid:504e3eb2-ff9c-4e30-a836-5bcb3378f457", "version": 1, "content_hash": "sha256:a6d8a4cb506e9884af10ac199e45ec533f2811b7d2804bbce66e7dfa2ec8cccf" }, "published_grade": { "profile": "wrs-published-grade-1", "edition": "2026-10-28.1", "id": "gromacs-parallelism-2015", "entry_id": "gromacs-parallelism-2015", "revision": 1, "title": "Abraham and colleagues: multi-level parallelism in GROMACS", "context": "Scientific computing", "track": "Molecular-simulation engine", "band": "B", "modifier": "+", "status": "PROVISIONAL_EDITORIAL", "assessed_on": "2026-09-25", "evidence_cutoff": "2026-09-25", "achievement_state": "SUPPORTED_SCOPED_RESULT", "what_changed": "A mature molecular-simulation engine was organized for several complementary hardware parallel scales.", "scope": "2015 seven-author GROMACS 5 paper and benchmark conditions; older/later versions and all simulations excluded.", "evidence_summary": "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. 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