Differences
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| mrowisko:here [2026/04/28 23:39] – created tmatejuk | mrowisko:here [2026/04/28 23:58] (current) – tmatejuk | ||
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| Line 5: | Line 5: | ||
| Open interactive session | Open interactive session | ||
| - | srun -N1 -c1 --mem=200GB --gres=gpu: | + | srun -N1 -c4 --mem=200GB --gres=gpu: |
| Create new folder for gromacs softare and download source | Create new folder for gromacs softare and download source | ||
| Line 23: | Line 23: | ||
| In bellow commands you use GROMACS software that was prepared. | In bellow commands you use GROMACS software that was prepared. | ||
| + | srun -N1 -c16 --mem=200GB --gres=gpu: | ||
| mkdir ~/ | mkdir ~/ | ||
| cd ~/ | cd ~/ | ||
| - | curl -OL https:// | + | curl -OL https:// |
| + | tar xzf GROMACS_TestCaseA.tar.gz | ||
| + | |||
| + | source ~/ | ||
| + | ~/ | ||
| + | results (CPU only) | ||
| + | Core t (s) Wall t (s) (%) | ||
| + | | ||
| + | | ||
| + | Performance: | ||
| + | |||
| + | results (CPU+1xGPU) | ||
| + | Core t (s) Wall t (s) (%) | ||
| + | | ||
| + | | ||
| + | Performance: | ||