submit_lincoln_gpu.sh
4d6eaa7c83felammps-icms

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