40 lines
1.1 KiB
Bash
40 lines
1.1 KiB
Bash
#!/bin/bash
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#
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# Runs the various tests.
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#
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# Set this to your lammps executable
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LMP="mpirun -np 2 lmp"
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NO_GNUPLOT=$( command -v gnuplot >/dev/null 2>&1 )
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NSTEPS=100000000
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if [ $# -ge 1 ]; then
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NSTEPS=$1
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fi
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for MANIFOLD in torus sphere cylinder
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do
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echo "+=== Running example on "$MANIFOLD" ===+"
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DATE=$(date | awk '{ print $3$2substr($6,3) }')
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LOG=$MANIFOLD".energy."$DATE".log"
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$LMP -in energy.in -var manifold $MANIFOLD -log $MANIFOLD".energy.log" -var STEPS $NSTEPS
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echo "+======================================+"
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echo ""
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done
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# 2D plane for verification:
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$LMP -in energy.plane.in -log energy.plane.log -var STEPS $NSTEPS
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if [ $NO_GNUPLOT ]
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then
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echo "No Gnuplot found, not plotting."
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exit 0
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fi
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E0S=$( head -n 2 thermo.sphere.dat | tail -n 1 | awk '{ print $4 }' )
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E0C=$( head -n 2 thermo.cylinder.dat | tail -n 1 | awk '{ print $4 }' )
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E0T=$( head -n 2 thermo.torus.dat | tail -n 1 | awk '{ print $4 }' )
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E0P=$( head -n 2 thermo.plane.dat | tail -n 1 | awk '{ print $4 }' )
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echo "Plotting using Gnuplot"
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gnuplot -e "E0S="$E0S -e "E0C="$E0C -e "E0T="$E0T -e "E0P="$E0P plot_energies.gpl
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