mirror of https://gitlab.com/QEF/q-e.git
18 lines
558 B
Bash
Executable File
18 lines
558 B
Bash
Executable File
#!/bin/sh
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# set the needed environment variables
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. ../../../environment_variables
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PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX"
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ACF_COMMAND="$PARA_PREFIX $BIN_DIR/ppacf.x $PARA_POSTFIX"
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for dir in pbe vdw-df-cx; do
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mkdir results_$dir
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cd results_$dir
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$PW_COMMAND -i ../reference_$dir/atoms.in > atoms.out
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$ACF_COMMAND -i ../reference_$dir/ppacf_scale.in > ppacf_scale.out
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$ACF_COMMAND -i ../reference_$dir/ppacf_plot.in > ppacf_plot.out
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$ACF_COMMAND -i ../reference_$dir/ppacf_fock.in > ppacf_fock.out
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cd ..
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done
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