mirror of https://gitlab.com/QEF/q-e.git
75 lines
1.6 KiB
Bash
Executable File
75 lines
1.6 KiB
Bash
Executable File
# fname=benchmark.out.git.inp=diamond_pimd.in #Is it the output file wile running or reference utput
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# temperature=`awk '/^[[:space:]]*[0-9]/' 'benchmark.out.git.inp=diamond_pimd.in' | awk '{print $8}' | awk 'NR > 1'`
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# if test "$temperature" != ""; then
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# echo temprature
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# echo $temperature
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# fi
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fname=$1
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# echo "$fname"
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line=$(grep -E "^[[:space:]]*[2-3]+[[:space:]]+[2-3]" $fname)
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block=$(echo "$line" | awk '{print $1}')
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nmove=$(echo "$line" | awk '{print $2}')
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H=$(echo "$line" | awk '{print $3}')
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H_Nose=$(echo "$line" | awk '{print $4}')
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E_pot=$(echo "$line" | awk '{print $5}')
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E_kin=$(echo "$line" | awk '{print $6}')
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Temp_Ha=$(echo "$line" | awk '{print $7}')
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Temp_K=$(echo "$line" | awk '{print $8}')
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quantum_kin_virial=$(echo "$line" | awk '{print $9}')
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quantum_kin_primitive=$(echo "$line" | awk '{print $10}')
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# echo "line= $line"
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# echo "block = $block"
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# echo "nmove = $nmove"
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# echo "H = $H"
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# echo "H_Nose = $H_Nose"
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# echo "E_pot = $E_pot"
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# echo "E_kin = $E_kin"
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# echo "Temp_Ha = $Temp_Ha"
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# echo "Temp_K = $Temp_K"
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# echo "quantum_kin_virial = $quantum_kin_virial"
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# echo "quantum_kin_primitive = $quantum_kin_primitive"
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if test "$block" != ""; then
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echo block
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echo $block
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fi
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if test "$nmove" != ""; then
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echo nmove
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echo $nmove
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fi
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if test "$H" != ""; then
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echo H
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echo $H
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fi
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if test "$H_Nose" != ""; then
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echo H_Nose
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echo $H_Nose
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fi
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if test "$E_pot" != ""; then
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echo E_pot
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echo $E_pot
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fi
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if test "$E_kin" != ""; then
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echo E_kin
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echo $E_kin
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fi
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if test "$Temp_K" != ""; then
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echo Temp_K
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echo $Temp_K
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fi
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if test "$Temp_Ha" != ""; then
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echo Temp_Ha
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echo $Temp_Ha
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fi |