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 1 or more simultaneous 1GPU:n CPU Gromacs jobs.
Each simulation will run on the SAME GPU but DIFFERENT CPUs. Depending on system size and runtime options, it may be possible to run multiple simultaneous simulations in the same GPU with little loss in performance.
File history
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| Date/Time | Dimensions | User | Comment | |
|---|---|---|---|---|
| current | 12:16, 9 May 2022 | (3 KB) | Vilaverde (talk | contribs) | Updated comments. |
| 11:12, 9 May 2022 | (3 KB) | Vilaverde (talk | contribs) | Updated summary and comments. | |
| 18:33, 6 May 2022 | (2 KB) | Vilaverde (talk | contribs) | Removed wrong definition and number of ntasks. Introduced calculation of OMP_NUM_THREADS for each simulation. | |
| 17:21, 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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