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| software:lammps:caviness [2020-08-28 18:33] – anita | software:lammps:caviness [2021-04-27 16:21] – external edit 127.0.0.1 |
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| ====== LAMMPS on Caviness ====== | ====== LAMMPS on Caviness ====== |
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| 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. | A Slurm job submission script template for batch LAMMPS jobs is available at ''/opt/shared/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. |
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| | <note tip>It is a good idea to periodically check in ''/opt/shared/templates/slurm/applications'' for changes in existing templates, or the addition of new templates, designed to provide the best performance for a particular version of LAMMPS on that cluster.</note> |
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| 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: |