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NAMD: Difference between revisions
modify threaded gpu job
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(modify threaded gpu job) |
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#!/bin/bash | #!/bin/bash | ||
# | # | ||
#SBATCH -- | #SBATCH --cpus-per-task=8 | ||
#SBATCH --mem 2048 | #SBATCH --mem 2048 | ||
#SBATCH -o slurm.%N.%j.out # STDOUT | #SBATCH -o slurm.%N.%j.out # STDOUT | ||
#SBATCH -t 0:05:00 # time (D-HH:MM) | #SBATCH -t 0:05:00 # time (D-HH:MM) | ||
| Line 172: | Line 172: | ||
module load cuda/8.0.44 | module load cuda/8.0.44 | ||
module load namd-multicore/2.12 | module load namd-multicore/2.12 | ||
namd2 + | namd2 +p$SLURM_CPUS_PER_TASK +idlepoll apoa1.namd | ||
}} | }} | ||
<translate> | <translate> | ||
== Verbs-GPU jobs == <!--T:20--> | == Verbs-GPU jobs == <!--T:20--> | ||
These provisional instructions will be refined further once this configuration can be fully tested on the new clusters. | These provisional instructions will be refined further once this configuration can be fully tested on the new clusters. | ||