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NAMD on Caviness
Batch job
Open MPI Slurm job submission script should be used for NAMD jobs on Caviness and can be found in /opt/templates/slurm/generic/mpi/openmpi. Copy and edit the template based on your job requirements by following the comments described in the openmpi.qs' file.
<note tip>It is always a good idea to periodically check if the templates in /opt/templates/slurm'' have changed especially as we learn more about what works well on a particular cluster.</note>