The Gaussian 16 rev. C.02 has already been installed on CCR for Shi group (software available on ...Project_space/software/Gaussian16).

The installation guide on CCR using EasyBuild is available: https://github.com/ubccr/ccr-examples/blob/main/easybuild/2_ApplicationSpecific/gaussian/README.md

To submit Gaussian jobs on CCR, please use the following Slurm job scripts:

#!/bin/bash
#SBATCH --clusters=faculty #ub-hpc
#SBATCH --partition=kaihangs #general-compute
#SBATCH --qos=kaihangs #general-compute
#SBATCH --time=1:00:00
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=16
#SBATCH --mem=32GB
#SBATCH --job-name="Gaussian"

module load gaussian/16.C.02-AVX2

export | grep g16

GAUSS_SCRDIR=/vscratch/grp-kaihangs/kaihangs/gaussian

source $g16root/g16/bsd/g16.profile

ls $g16root/g16/bsd/g16.profile

g16 input.gjf

echo "All Done!"