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cat msi.pbs

#PBS -N model

#PBS -l nodes=2:ppn=8

#PBS -q high

project_name=model

cd $PBS_O_WORKDIR

rm .machine

rm APPFILE

rm $project_name.castep

NSLOTS=`cat ${PBS_NODEFILE} | wc -l`

$MS_INSTALL_ROOT/share/bin/create_appfile.sh -np $NSLOTS -list $PBS_NODEFILE -command "$MS_INSTALL_ROOT/bin/castepexe_mpi.exe $project_name"

/opt/hpmpi/bin/mpirun -ibv -e MPI_REMSH=/usr/bin/ssh -cpu_bind=v ¨Cprot -f ./APPFILE


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