#!/bin/bash
#SBATCH --job-name=ORCA-5.0.4-test
#SBATCH --partition=batch
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=8 
#SBATCH --time=1:00:00

module load gcc/9.4.0-eewq4j6 openmpi/4.1.4-koyl265
module load orca/5.0.4-openmpi-4.1.4


$ORCA/orca test.inp 
