File:Gromacs 1GPU nCPUs multiRun.sh
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Gromacs_1GPU_nCPUs_multiRun.sh (file size: 3 KB, MIME type: application/x-bash)
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Summary
SLURM script to run simultaneous 1 GPU: n CPU Gromacs jobs.
Each simulation will run on the SAME GPU but DIFFERENT CPUs.
USEFUL when each simulation uses <50% of the GPU
File history
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| Date/Time | Dimensions | User | Comment | |
|---|---|---|---|---|
| current | 13:16, 9 May 2022 | (3 KB) | Vilaverde (talk | contribs) | Updated comments. |
| 12:12, 9 May 2022 | (3 KB) | Vilaverde (talk | contribs) | Updated summary and comments. | |
| 19:33, 6 May 2022 | (2 KB) | Vilaverde (talk | contribs) | Removed wrong definition and number of ntasks. Introduced calculation of OMP_NUM_THREADS for each simulation. | |
| 18:21, 6 May 2022 | (2 KB) | Vilaverde (talk | contribs) | SLURM script to run simultaneous 1 GPU: n CPU Gromacs jobs. Each simulation will run on the SAME GPU but DIFFERENT CPUs. USEFUL when each simulation uses <50% of the GPU |
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