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post.sh
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Fri, Oct 18, 15:30

post.sh
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#!/bin/bash
# filename: post.sh
echo "cores start end" > ./qe-pw.txt
echo "#cores fftw celterg cdiaghg davcio total start end" > qe-pw_full.txt
for i in `cat ../cores.txt`; do
dir=PW/pw$i
fftw=`grep fftw $dir/para.scf.out | awk '{ print $5 }' | sed 's/s//'`
cegterg=`grep cegterg $dir/para.scf.out | awk '{ print $5 }' | sed 's/s//'`
cdiaghg=`grep cdiaghg $dir/para.scf.out | awk '{ print $5 }' | sed 's/s//'`
davcio=`grep davcio $dir/para.scf.out | awk '{ print $5 }' | sed 's/s//'`
total=`grep PWSCF $dir/para.scf.out | grep WALL | sed 's/m \([[:digit:]]\)/m0\1/g;s/h \([[:digit:]]\)/h0\1/g' | awk '{ print $5 }'`
start=`grep starts $dir/para.scf.out | sed 's/^.* on //;s/ at /,/;s/ $//;s/ /0/g' `
end=`grep terminated $dir/para.scf.out | sed 's/^.* on: //;s/ at /,/;s/ *$//;s/^ *//;s/ /,/;s/ /0/g' `
echo "$i $start $end" >> ./qe-pw.txt
echo "$i $fftw $cegterg $cdiaghg $davcio $total $start $end" >> qe-pw_full.txt
[ -d ../Results/QE ] && (mkdir -p ../Results/QE/$dir; cp $dir/para.scf.out ../Results/QE/$dir)
done
for j in 1 2; do
echo "#cores fftw ortho dforce total start end" > qe-cp-${j}_full.txt
echo "cores start end" > ./qe-cp-$j.txt
for i in `cat ../cores.txt`; do
file=CP/carp$i/h2o-64-$j.out
fftw=`grep fftw $file | awk '{ print $5 }' | sed 's/s//'`
ortho=`grep ortho $file | grep WALL | grep -v iter | awk '{ print $5 }' | sed 's/s//'`
dforce=`grep dforce $file | awk '{ print $5 }' | sed 's/s//'`
total=`grep "CP " $file | grep WALL | sed 's/m \([[:digit:]]\)/m0\1/g;s/h \([[:digit:]]\)/h0\1/g' | awk '{ print $5 }'`
start=`grep starts $file | sed 's/^.* on //;s/ at /,/;s/ $//;s/ /0/g' `
end=`grep terminated $file | sed 's/^.* on: //;s/ at /,/;s/ *$//;s/^ *//;s/ /,/;s/ /0/g' `
echo "$i $start $end" >> ./qe-cp-$j.txt
echo "$i $fftw $ortho $dforce $total $start $end" >> qe-cp-${j}_full.txt
done
[ -d ../Results/QE ] && (mkdir -p ../Results/QE/CP/carp$i; cp $file ../Results/QE/CP/carp$i/)
done
[ -d ../Results/QE ] && cp qe-pw_full.txt qe-pw.txt qe-cp-?_full.txt qe-cp-?.txt ../Results/QE/

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