slurm
In general submission should look like this:
#!/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
If you need a gpu, add this line:
#SBATCH --gres=gpu:1
If you need terachem:
source /opt/petachem/TeraChem/SetTCVars.sh
If you need anything from computecanada:
source /cvmfs/soft.computecanada.ca/config/profile/bash.sh export CC_CLUSTER=cedar
Premade scripts for creating slurm submission scripts for CP2K, Gaussian and Terachem are available in your $PATH by default (copied to $HOME/.local/bin):
submit_terachem.py (make_tc.py) submit_cp2k submit_g16.py
slurm.txt · Last modified: 2025/09/04 15:57 by randon