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LAMMPS on Caviness
A template Slurm job submission script for batch LAMMPS jobs is available at /opt/templates/slurm/applications/lammps.qs
. Copy and edit the template based on your job's resource needs; the comments in the template describe each Slurm option and environment variable present.
At the very least, the LAMMPS input file variable must be altered accordingly:
# # [EDIT] Indicate your LAMMPS input file (mandatory) # LAMMPS_INPUT=""