Difference between revisions of "Example SLURM-Parallel-Job-Scripts"
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| Line 23: | Line 23: | ||
LAMMPS=lmp_ufhpc.openmpi | LAMMPS=lmp_ufhpc.openmpi | ||
INPUT=test-input | INPUT=test-input | ||
| + | |||
mpiexec $LAMMPS < $INPUT | mpiexec $LAMMPS < $INPUT | ||
</source> | </source> | ||
Revision as of 00:51, 4 May 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 --nodes=1
#SBATCH --mem-per-cpu=4000
#SBATCH --account=ufhpc
#SBATCH --qos=ufhpc
#
module load intel/2016.0.109
module load openmpi/1.10.2
module load lammps/7Dec15
LAMMPS=lmp_ufhpc.openmpi
INPUT=test-input
mpiexec $LAMMPS < $INPUT