In general submission should look like this:

<code>
#!/bin/bash
#SBATCH --cpus-per-task=(max 64)
#SBATCH --mem=(max 124G)
#SBATCH --time=(max 7-00:00)
#SBATCH --output=%N-%j.out

your commands here
</code>
If you need a gpu, add this line:
<code>
#SBATCH --gres=gpu:1 
</code>
If you need terachem:
<code>
source /opt/petachem/TeraChem/SetTCVars.sh
</code>

If you need anything from computecanada:
<code>
source /cvmfs/soft.computecanada.ca/config/profile/bash.sh
export CC_CLUSTER=cedar
</code>