gromacs2023
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gromacs2023 [2024/01/23 00:43] root |
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| module load gcc/11.2.1 cuda/12.1 impi/19.0.9 python/ | module load gcc/11.2.1 cuda/12.1 impi/19.0.9 python/ | ||
| OMP_NUM_THREADS=$NC gmx_mpi mdrun -nb gpu -resethway -npme 0 -notunepme -noconfout -nsteps 1000 -v -s bench.tpr | OMP_NUM_THREADS=$NC gmx_mpi mdrun -nb gpu -resethway -npme 0 -notunepme -noconfout -nsteps 1000 -v -s bench.tpr | ||
| - | . | ||
| </ | </ | ||
gromacs2023.1705970607.txt.gz · Last modified: 2024/01/23 00:43 by root
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