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#!/bin/bash -f
CWD=`pwd`
SCRATCHDIR=$CWD/scratchdir
TESTOUTPUTS=$CWD/testoutputs
INPUT=$CWD/tests/$1/$1.nw
echo "Running tests/$1/$1.nw"
NWPARSE=$CWD/nwparse.pl
rm -rf $SCRATCHDIR
mkdir -p $SCRATCHDIR $TESTOUTPUTS
cd $SCRATCHDIR
cp $INPUT .
echo " Executing $NWCHEM_TOP/bin/$NWCHEM_TARGET/nwchem"
$NWCHEM_TOP/bin/$NWCHEM_TARGET/nwchem $1 > $1.out
RUNSTATUS=$?
if [ $RUNSTATUS -ne 0 ];then
echo " Execution failed"
exit
fi
cp $1.out $TESTOUTPUTS
cd $TESTOUTPUTS
perl $NWPARSE $1.out >/dev/null 2>&1
cp $CWD/tests/$1/$1.out $1.ok.out
echo " verifying output"
perl $NWPARSE $1.ok.out >/dev/null 2>&1
diff -w $1.ok.out.nwparse $1.out.nwparse > /dev/null 2>&1
STATUS=$?
if [ $STATUS -ne 0 ];then
echo " failed"
else
echo " OK"
fi
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