#!/bin/bash #PBS -l nodes=8 #PBS -q medium #PBS -j oe #PBS -o wien2k.output #PBS -l walltime=48:00:00 use intel-mvapich-0.9.9 cd $PBS_O_WORKDIR # Generate proper parallel .machines file rm -f .machines awk '{print "1:"$1}' $PBS_NODEFILE > .machines echo "granularity:1" >> .machines x lapw2 -p