#! /bin/csh
#PBS -l walltime=5:00
#PBS -l ncpus=32
#PBS -o lammps.out
#PBS -j oe

set echo

#-- set up the module command and load the lammps module
source /usr/share/modules/init/tcsh
module load lammps

#-- move to directory containing the input file
cd  ~/lammps

#-- run lammps
mpirun -np 4 lmp_blacklight  < in.melt
 

Sample jobs

Documentation

More example programs can be obtained by downloading the source from http://lammps.sandia.gov. The example programs and a brief explanation of each are in the examples subdirectory of the download tar file.

See also

More User Information

Passwords

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PSC Policies

Technical questions:

Call the PSC hotline: 412-268-6350 / 800-221-1641 or mail to remarks@psc.edu.