mirror of https://gitlab.com/QEF/q-e.git
52 lines
1.0 KiB
Bash
Executable File
52 lines
1.0 KiB
Bash
Executable File
#!/bin/bash
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error(){
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echo "$1"
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exit $2
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}
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cd $(dirname $0) ||
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error "Cannot find myself! Run the script as ./test" 4
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LD1=$(cd ../../../bin/; echo `pwd`/ld1.x)
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test -x $LD1 ||
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error "Cannot find ld1.x, or not executable." 126
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#### run oxygen test ####
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cd oxygen
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mkdir -p tmp
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echo "Running oxygen test..."
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echo " * generating"
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$LD1 < gen.in > gen.out ||
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error "ld1 failed! Aborting" 7
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echo " * testing"
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$LD1 < test.in > test.out ||
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error "ld1 failed! Aborting" 8
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echo " * testing with spin"
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$LD1 < spin.in > spin.out ||
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error "ld1 failed! Aborting" 9
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echo "done"
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cd ..
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#### generate pseudopotentials ####
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echo
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echo "Generating PAW datasets library"
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mkdir -p results ||
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error "Cannot create directory \"results\": check permissions" 126
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LIST=$(cd input;ls *.in)
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cd results
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for input in $LIST; do
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echo -n " * ${input/.in/}: ($(date +%T))..."
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mkdir -p ${input/.in/}
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$LD1 < ../input/$input > ${input/.in/.out} ||
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error "ld1 failed! Aborting..." 3
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echo -n " plotting..."
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../plot_dlog ${input/.in/} >/dev/null
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echo " done"
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done
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