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