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slurm [2025/04/26 05:38] randonslurm [2025/09/04 15:57] (current) randon
Line 23: Line 23:
 source /cvmfs/soft.computecanada.ca/config/profile/bash.sh source /cvmfs/soft.computecanada.ca/config/profile/bash.sh
 export CC_CLUSTER=cedar export CC_CLUSTER=cedar
 +</code>
 +
 +Premade scripts for creating slurm submission scripts for CP2K, Gaussian and Terachem are available in your $PATH by default (copied to $HOME/.local/bin):
 +
 +<code>
 +submit_terachem.py
 +(make_tc.py)
 +submit_cp2k
 +submit_g16.py
 </code> </code>
slurm.txt · Last modified: 2025/09/04 15:57 by randon