submit_lincoln_gpu.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 lj-gpu
	#PBS
	#

	cd $PBS_O_WORKDIR
	mpirun -npernode 2 --mca mpi_paffinity_alone 1 -x OMP_NUM_THREADS=1 ./lmp_lincoln -in in.lj-gpu -log log.lj-gpu