gromacs2023
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| Both sides previous revisionPrevious revisionNext revision | Previous revision | ||
| gromacs2023 [2024/01/23 00:43] – root | gromacs2023 [2025/10/15 19:51] (current) – external edit 127.0.0.1 | ||
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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: (external edit)