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update to 2.14
(update to 2020) |
(update to 2.14) |
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| Line 202: | Line 202: | ||
module load cuda/ | module load StdEnv/2020 | ||
module load namd-multicore/2. | module load cuda/11.0 | ||
module load namd-multicore/2.14 | |||
namd2 +p$SLURM_CPUS_PER_TASK +idlepoll apoa1.namd | namd2 +p$SLURM_CPUS_PER_TASK +idlepoll apoa1.namd | ||
}} | }} | ||