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howto:liggghts

LIGGGHTS and lammps at the CHPC

The LIGGGHTS descreet element method code is now installed at the CHPC, although only limited support is available for them at this point. LIGGGHTS is at /apps/chpc/compmech/DEM/LIGGGHTS. The directory contains a file named liggghts_env. This should be sourced from your submit script before running the executable, for which a symbolic link is provided in the same directory. An example script for lights, parallelized across three nodes (select = 3) with 12 processors per node (ncpus =12:mpiprocs=12) is shown below:

liggghts.qsub
  #!/bin/bash
  #PBS -P projectid
  #PBS -l select=3:ncpus=24:mpiprocs=24:mem=12GB:nodetype=haswell_reg
  #PBS -q normal
  #PBS -l walltime=01:00:00
  #PBS -o /home/username/scratch/foamJobs/job01/stdout
  #PBS -e /home/username/scratch/foamJobs/job01/stderr
  #PBS -m abe
  #PBS -M username@email.co.za
  ### Source the LIGGGHTS environment:
  . /apps/chpc/compmech/DEM/LIGGGHTS/liggghts_env
  ##### Running commands
  # The -d option used with moab no longer works.  Set this environment variable explicitly.
  export PBS_JOBDIR=/home/username/liggghtsJobs/job01
  # Explicitly change to the job directory
  cd $PBS_JOBDIR
  nproc=`cat $PBS_NODEFILE | wc -l`
  mpirun -np $nproc liggghts < in.lj 
 
/var/www/wiki/data/pages/howto/liggghts.txt · Last modified: 2017/09/11 14:01 by agill