submit_lincoln_omp.sh
2eeae0aade06lammm-devel

submit_lincoln_omp.sh
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			#!/bin/sh
			#PBS -A <project>
			#PBS -l nodes=16:ppn=8
			#PBS -q lincoln
			#PBS -l walltime=1:00:00
			#PBS -N wat-cpu
			#PBS
			#

			cd $PBS_O_WORKDIR

			mpirun -npernode 8 --mca mpi_paffinity_alone 0 -x OMP_NUM_THREADS=1 ./lmp_abe -in in.wat-omp -var num 10 -log log.wat-omp

			mpirun -npernode 4 --mca mpi_paffinity_alone 0 -x OMP_NUM_THREADS=2 ./lmp_abe -in in.wat-omp -var num 10 -log log.wat-omp2

			mpirun -npernode 2 --mca mpi_paffinity_alone 0 -x OMP_NUM_THREADS=4 ./lmp_abe -in in.wat-omp -var num 10 -log log.wat-omp3