VASP Job Submit Script
This shows an example of a job submission file for running VASP pre-built on Negishi:
#!/bin/bash
#SBATCH -A myqueuename # Queue name(use 'slist' command to find queues' name)
#SBATCH --nodes=1 # Total # of nodes
#SBATCH --ntasks=64 # Total # of MPI tasks
#SBATCH --time=1:00:00 # Total run time limit (hh:mm:ss)
#SBATCH -J myjobname # Job name
#SBATCH -o myjob.o%j # Name of stdout output file
#SBATCH -e myjob.e%j # Name of stderr error file
# Manage processing environment, load compilers and applications.
module load vasp/5.4.4.pl2 # or module load vasp/6.4.1
module list
# Launch MPI code
mpirun -np $SLURM_NTASKS vasp_std