howto:liggghts
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| Both sides previous revision Previous revision Next revision | Previous revision | ||
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howto:liggghts [2016/02/26 14:30] agill |
howto:liggghts [2021/12/09 16:42] (current) |
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| LIGGGHTS and lammps at the CHPC | 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 / | + | The LIGGGHTS descreet element method code is installed at the CHPC, although only limited support is available for them at this point. LIGGGHTS |
| + | < | ||
| + | At present this does not support VTK output, though this will be corrected | ||
| + | A module | ||
| + | An example script for lights, parallelized across three nodes (select = 3) with 24 processors per node (ncpus =24: | ||
| + | |||
| + | <file bash liggghts.qsub> | ||
| #!/bin/bash | #!/bin/bash | ||
| #PBS -P projectid | #PBS -P projectid | ||
| Line 8: | Line 14: | ||
| #PBS -q normal | #PBS -q normal | ||
| #PBS -l walltime=01: | #PBS -l walltime=01: | ||
| - | #PBS -o /home/username/scratch/foamJobs/ | + | #PBS -o /mnt/lustre3p/users/username/ |
| - | #PBS -e /home/username/scratch/foamJobs/ | + | #PBS -e /mnt/lustre3p/users/ |
| #PBS -m abe | #PBS -m abe | ||
| #PBS -M username@email.co.za | #PBS -M username@email.co.za | ||
| - | ### Source | + | ### load the LIGGGHTS |
| - | | + | |
| ##### Running commands | ##### Running commands | ||
| # The -d option used with moab no longer works. | # The -d option used with moab no longer works. | ||
| - | export PBS_JOBDIR=/ | + | export PBS_JOBDIR=/ |
| # Explicitly change to the job directory | # Explicitly change to the job directory | ||
| cd $PBS_JOBDIR | cd $PBS_JOBDIR | ||
| nproc=`cat $PBS_NODEFILE | wc -l` | nproc=`cat $PBS_NODEFILE | wc -l` | ||
| - | mpirun -np $nproc liggghts < in.lj | + | mpirun -np $nproc liggghts < in.lj > ligghtsrun.out |
| + | </ | ||
/app/dokuwiki/data/attic/howto/liggghts.1456489836.txt.gz · Last modified: 2021/12/09 16:42 (external edit)
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