Pittsburgh Supercomputing Center 

Advancing the state-of-the-art in high-performance computing,
communications and data analytics.

#! /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

People. Science. Collaboration.

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PSC Spring2014c

 

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