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