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Both sides previous revision Previous revision Next revision | Previous revision Next revisionBoth sides next revision | ||
software:lammps:caviness [2020-08-28 18:25] – anita | software:lammps:caviness [2020-08-28 18:35] – anita | ||
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====== LAMMPS on Caviness ====== | ====== LAMMPS on Caviness ====== | ||
- | A template | + | A Slurm job submission script |
At the very least, the LAMMPS input file variable must be altered accordingly: | At the very least, the LAMMPS input file variable must be altered accordingly: | ||
- | < | + | < |
# | # | ||
# [EDIT] Indicate your LAMMPS input file (mandatory) | # [EDIT] Indicate your LAMMPS input file (mandatory) | ||
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if we want to specify the '' | if we want to specify the '' | ||
- | < | + | < |
# | # | ||
# [EDIT] Load some version of LAMMPS into the job environment | # [EDIT] Load some version of LAMMPS into the job environment | ||
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</ | </ | ||
- | The job submission script template sources an external script to complete setup of the job environment. You should never delete parts of the template or comment out any option unless you see '' | + | The job submission script template sources an external script to complete |