The GROMACS (GROningen MAchine for Chemical Simulations) molecular dynamics package testing on the CPU with the water_GMX50 data.

This benchmark test was uploaded by Phoronix Test Suite.

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Revision History

pts/gromacs-1.3.0 [14 Apr 2020 11:26:15 EDT]
- Update against gromacs 2020.1 upstream.

pts/gromacs-1.2.1 [26 Feb 2020 18:41:29 EST]
- Add external dependencies that were missing/

pts/gromacs-1.2.0 [26 Feb 2020 15:24:53 EST]
- Update against new GROMACS 2020 upstream, add allow run as root for mpirun.

pts/gromacs-1.1.1 [09 Nov 2019 14:16:00 EST]
- Fix for the run sometimes failing, delete the previous tpr files before running.

pts/gromacs-1.1.0 [09 Nov 2019 13:57:57 EST]
- Update against GROMACS 2019.4 upstream.

pts/gromacs-1.0.0 [15 Jun 2019 10:41:11 EDT]
- Been meaning to add this, very similar to existing gromacs-gpu test profile but this test profile only subject to running on CPU.

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