18 lines
324 B
Bash
Executable File
18 lines
324 B
Bash
Executable File
#!/bin/bash -e
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lmpbin=$1
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if [ ! -f $lmpbin ]; then
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echo "LAMMPS binary '$lmpbin' is not a file"
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exit 1
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fi
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rm -f *.csv
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$lmpbin -i ref.in #> /dev/null
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mv ref.csv ref_nointel.csv
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$lmpbin -i ref.in -pk intel 0 omp 1 mode double -sf intel #> /dev/null
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mv ref.csv ref_intel.csv
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python3 check.py
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#rm *.csv log.lammps*
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