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#!/bin/bash #QCG host=novabem #QCG queue=plgrid #QCG note=Naphthalene gaussian #QCG output=${JOB_ID}.output #QCG error=${JOB_ID}.error #QCG stage-in-file=Naphthalene.gjf #QCG stage-out-dir=.->result.${JOB_ID} #QCG nodes=1:12 #QCG walltime=PT30M #QCG monitor #QCG application=g09 #QCG argument=Naphthalene.gjf |
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