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Please find below the scheduler script for dl_poly version 2:
#!/bin/sh ###These lines are for PBSpro #PBS -N nkwe.job #PBS -l select=2:ncpus=12:mpiprocs=12:jobtype=dell,place=free:group=nodetype:excl #PBS -l walltime=1:00:00 #PBS -q workq #PBS -m be #PBS -o /lustre/SCRATCH5/users/nmonama/dlpoly-test/intelmpi/stdout #PBS -e /lustre/SCRATCH5/users/nmonama/dlpoly-test/intelmpi/stderr source /etc/profile.d/modules.sh module add intel-XE/13.0 cd $PBS_O_WORKDIR exe=/opt/gridware/applications/dlpoly/dlpoly_intel/DLPOLY_2.20.DELL.IMPI.X ##### Running commands nproc=`cat $PBS_NODEFILE | wc -l` mpirun -np $nproc $exe