18 lines
335 B
Bash
18 lines
335 B
Bash
#!/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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for file in in.*; do
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echo "$file"
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echo "1 proc"
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$lmpbin -i $file > /dev/null
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grep ' 1.2 ' log.lammps
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echo "2 procs"
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mpirun -np 2 $lmpbin -i $file > /dev/null
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grep ' 1.2 ' log.lammps
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done
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