Differences

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--- software:lammps:caviness [2020-08-28 18:35] – anita
+++ software:lammps:caviness [2021-05-11 17:59] (current) – anita
@@ Line 1: / Line 1: @@
 ====== LAMMPS on Caviness ======
-A Slurm job submission script template 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.
+<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>
 At the very least, the LAMMPS input file variable must be altered accordingly:
@@ Line 49: / Line 52: @@
 The job submission script template sources an external script to complete the setup of the job environment. You should never delete parts of the template or comment out any option unless you see ''[EDIT]'' instructions.
+<note important>There have been a few reports from clients that after a LAMMPS job has been submitted (especially if you know the job has worked correctly before), the scheduler indicates the job is running however no data is written in the output files. In such cases, clients report cancelling the job and resubmitting without any change and the job ran successfully.</note>