Translations:AMBER/5/en

The following example is a sander.MPI parallel job script:

File : amber_parallel.sh

#!/bin/bash
 #SBATCH --nodes=1 --ntasks-per-node=32  # 1 node with 32 cpus, MPI job
 #SBATCH --mem-per-cpu=2G                # memory, should be less than 4G
 #SBATCH --time=00-01:00                 # time (DD-HH:MM)
 #SBATCH --output=sodium.log             # output .log file
 module load StdEnv/2016.4
 module load amber/16
 srun sander.MPI -ng 2 -groupfile groups

Message Passing Interface