cc_staff
120
edits
AMBER: Difference between revisions
→Job Submission
| Line 25: | Line 25: | ||
#SBATCH --output=sodium.log # output .log file | #SBATCH --output=sodium.log # output .log file | ||
module load amber/16 | module load amber/16 | ||
srun sander.MPI -ng 2 -groupfile groups | srun sander.MPI -ng 2 -groupfile groups # srun command | ||
You can modify the script to fit your job's requirements for compute resources. | You can modify the script to fit your job's requirements for compute resources. | ||