cluster:73
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cluster:73 [2020/07/15 18:49] hmeij07 [LAMMPS CPU/GPU] |
cluster:73 [2020/07/24 17:53] hmeij07 [Gromacs] |
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| Line 944: | Line 944: | ||
| ====== Gromacs ===== | ====== Gromacs ===== | ||
| - | Gromacs-2018 for GPU (RTX2080) | + | Gromacs-2020.3 for GPU (RTX2080S) |
| + | * '' | ||
| + | * see / | ||
| + | * change env in script below | ||
| + | |||
| + | Gromacs-2018 for GPU (RTX2080S) | ||
| * '' | * '' | ||
| * **/ | * **/ | ||
| Line 1252: | Line 1257: | ||
| ** CPU ONLY v2 CentOS7 ** | ** CPU ONLY v2 CentOS7 ** | ||
| + | * add user-opm on next compile ... done ... binaries with string +user-omp | ||
| * / | * / | ||
| * lmp_serial, lmp_mpi | * lmp_serial, lmp_mpi | ||
| Line 1275: | Line 1281: | ||
| ** CPU or GPU ** | ** CPU or GPU ** | ||
| + | |||
| + | * added lmp_mpi-single-single+user-omp | ||
| * / | * / | ||
cluster/73.txt · Last modified: 2024/05/15 12:58 by hmeij07
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