software:lammps:caviness

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software:lammps:caviness [2020-08-28 18:25] anitasoftware:lammps:caviness [2020-08-28 18:35] anita
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 ====== LAMMPS on Caviness ====== ====== LAMMPS on Caviness ======
  
-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/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: At the very least, the LAMMPS input file variable must be altered accordingly:
  
-<code>+<code bash>
 # #
 # [EDIT] Indicate your LAMMPS input file (mandatory) # [EDIT] Indicate your LAMMPS input file (mandatory)
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  if we want to specify the ''28Jun2014:intel,mkl'' instead of the default version (''13Mar2018:intel'') indicated by the ''*'', then we would change the job submission script to the following  if we want to specify the ''28Jun2014:intel,mkl'' instead of the default version (''13Mar2018:intel'') indicated by the ''*'', then we would change the job submission script to the following
  
-<code>+<code bash>
 # #
 # [EDIT] Load some version of LAMMPS into the job environment # [EDIT] Load some version of LAMMPS into the job environment
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 </code> </code>
  
-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 ''[EDIT]'' instructions.+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.
  • software/lammps/caviness.txt
  • Last modified: 2021-05-11 17:59
  • by anita