DL_poly

DL_Poly_2.18 up to 3.10  (Sun Microsystems)

###These lines are for Moab
#MSUB -l nodes=5:ppn=12
#MSUB -l partition=dell|westmere
#MSUB -l walltime=168:00:00
#MSUB -m be
#MSUB -V
#MSUB -o /lustre/SCRATCH5/users/username/work/stdout.out
#MSUB -e /lustre/SCRATCH5/users/username/work/stderr.err
#MSUB -d /lustre/SCRATCH5/users/username/work
#MSUB -mb
#MSUB -M This email address is being protected from spambots. You need JavaScript enabled to view it.
##### Running commands
exe=/opt/gridware/applications/dlpoly/DLPOLY_3.09.Y
nproc=`cat $PBS_NODEFILE | wc -l`
mpirun -np $nproc $exe

Documentation for users:

CHPC Student Cluster Competition 2013

Tsessebe Cluster Available

Graphical Processing Unit Cluster Available

CHPC SAGrid Cluster Available

Dirisa Storage Unit Available

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