submit_abe_all.sh
aa1c65270d12lammm-master

submit_abe_all.sh
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			#!/bin/sh
			#PBS -A <project>
			#PBS -q normal
			#PBS -N gb-all
			#PBS -l nodes=16:ppn=8
			#PBS -j oe
			#PBS -l walltime=06:00:00

			set -v
			set -x

			cd $PBS_O_WORKDIR

			mpirun=/usr/local/openmpi-1.3.2-gnu/bin/mpirun

			$mpirun -npernode 7 -x OMP_NUM_THREADS=1 ./lmp_abe -in in.gb-cpu -var len 40.0 -log log.gb-cpu-7m1t
			$mpirun -npernode 7 -x OMP_NUM_THREADS=1 ./lmp_abe -in in.gb-omp -var len 40.0 -log log.gb-omp-7m1t
			$mpirun -npernode 4 -x OMP_NUM_THREADS=1 ./lmp_abe -in in.gb-cpu -var len 40.0 -log log.gb-cpu-4m1t
			$mpirun -npernode 4 -x OMP_NUM_THREADS=2 ./lmp_abe -in in.gb-omp -var len 40.0 -log log.gb-omp-4m2t
			$mpirun -npernode 2 -x OMP_NUM_THREADS=1 ./lmp_abe -in in.gb-cpu -var len 40.0 -log log.gb-cpu-2m1t
			$mpirun -npernode 2 -x OMP_NUM_THREADS=4 ./lmp_abe -in in.gb-omp -var len 40.0 -log log.gb-omp-2m4t