mirror of https://gitlab.com/QEF/q-e.git
25 lines
590 B
Bash
Executable File
25 lines
590 B
Bash
Executable File
#!/bin/bash
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work=./results
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reference=./reference
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. ../../../environment_variables
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BIN_DIR=../../../bin
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mkdir $work
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rm -f $work/*
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ld1_command="$PARA_PREFIX $BIN_DIR/ld1.x $PARA_POSTFIX"
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echo "ld1_command =" $ld1_command
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if test -e difference ; then /bin/rm difference > /dev/null ; fi
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touch difference
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for atom in ar f fe he cu cu1 h pt mg u u1 w ne_oep c_oep ; do
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$ld1_command < $atom.in > $work/$atom.out
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echo "diff -wib ./results/$atom.out ./reference/$atom.out" >> difference
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diff -wib $work/$atom.out $reference/ >> difference
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done
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/bin/rm ld1.wfc out_* >& /dev/null
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