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Improve job parameters to request full nodes for CPU-based simulations
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(Improve job parameters to request full nodes for CPU-based simulations) |
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=== CPU-only parallel MPI job === <!--T:47--> | === CPU-only parallel MPI job === <!--T:47--> | ||
The example below requests four full nodes on Narval (64 tasks per node). | The example below requests four full nodes on Narval (64 tasks per node). | ||
{{File | {{File | ||
|name=pmemd_MPI_job.sh | |name=pmemd_MPI_job.sh | ||
| Line 102: | Line 103: | ||
#!/bin/bash | #!/bin/bash | ||
#SBATCH --nodes=4 | #SBATCH --nodes=4 | ||
#SBATCH --ntasks= | #SBATCH --ntasks-per-node=64 | ||
#SBATCH --mem-per-cpu=2000 | #SBATCH --mem-per-cpu=2000 | ||
#SBATCH --time=1:0:0 | #SBATCH --time=1:0:0 | ||