Difference between revisions of "Example SLURM-Parallel-Job-Scripts"
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#SBATCH --qos=YOUR-GROUP-NAME | #SBATCH --qos=YOUR-GROUP-NAME | ||
# | # | ||
| − | module load intel/2016.0.109 | + | module load intel/2016.0.109 openmpi/1.10.2 lammps/7Dec15 |
| − | |||
| − | |||
LAMMPS=lmp_ufhpc.openmpi | LAMMPS=lmp_ufhpc.openmpi | ||
Revision as of 16:47, 26 July 2016
 HiPerGator 2.0 documentation |
LAMMPS (MPI only)
#!/bin/bash
#SBATCH --job-name=LAMMPS-JOB
#SBATCH --output=LAMMPS.out
#SBATCH --error=LAMMPS.err
#SBATCH --mail-type=ALL
#SBATCH --mail-user=YOUR-EMAIL-ADDRESS
#SBATCH --time=01:00:00
#SBATCH --ntasks=12
#SBATCH --mem-per-cpu=4000
#SBATCH --account=YOUR-GRUOP-NAME
#SBATCH --qos=YOUR-GROUP-NAME
#
module load intel/2016.0.109 openmpi/1.10.2 lammps/7Dec15
LAMMPS=lmp_ufhpc.openmpi
INPUT=test-input
mpiexec $LAMMPS < $INPUT