#!/bin/bash
#SBATCH --job-name=Q-Chem-6.1-case
#SBATCH --partition=ampere
#SBATCH --gres=gpu:2
#SBATCH --time=30:00

source /mnt/apps/prebuilt/QChem/6.1/qcenv.sh
qchem -gpu $QC/test_new_install.in

