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generalize a bit so multicore jobs are discussed also
(Marked this version for translation) |
(generalize a bit so multicore jobs are discussed also) |
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Please refer to the [[Running jobs]] page for help on using the SLURM workload manager. | Please refer to the [[Running jobs]] page for help on using the SLURM workload manager. | ||
== Serial jobs == <!--T:15--> | == Serial and threaded jobs == <!--T:15--> | ||
Below is a simple job script for a serial simulation (using only one core). You can increase the number for --cpus-per-task to use more cores, up to the maximum number of cores available on a cluster node. | |||
</translate> | </translate> | ||
{{File | {{File | ||
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#!/bin/bash | #!/bin/bash | ||
# | # | ||
#SBATCH -- | #SBATCH --cpus-per-task=1 | ||
#SBATCH --mem | #SBATCH --mem 2048 # memory in Mb, increase as needed | ||
#SBATCH -o slurm.%N.%j.out # STDOUT | #SBATCH -o slurm.%N.%j.out # STDOUT file | ||
#SBATCH -t 0: | #SBATCH -t 0:05:00 # time (D-HH:MM), increase as needed | ||
#SBATCH --account=def-specifyaccount | #SBATCH --account=def-specifyaccount | ||
module load StdEnv/2020 | |||
module load StdEnv/2020 namd-multicore/2.14 | module load namd-multicore/2.14 | ||
namd2 + | namd2 +p$SLURM_CPUS_PER_TASK +idlepoll apoa1.namd | ||
}} | }} | ||
<translate> | <translate> | ||