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energy.sh
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Mon, Sep 30, 19:58
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Wed, Oct 2, 19:58 (2 d)
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rLAMMPS lammps
energy.sh
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#!/bin/bash
#
# Runs the various tests.
#
# Set this to your lammps executable
LMP="mpirun -np 2 lmp"
NO_GNUPLOT=$( command -v gnuplot >/dev/null 2>&1 )
NSTEPS=100000000
if [ $# -ge 1 ]; then
NSTEPS=$1
fi
for MANIFOLD in torus sphere cylinder
do
echo "+=== Running example on "$MANIFOLD" ===+"
DATE=$(date | awk '{ print $3$2substr($6,3) }')
LOG=$MANIFOLD".energy."$DATE".log"
$LMP -in energy.in -var manifold $MANIFOLD -log $MANIFOLD".energy.log" -var STEPS $NSTEPS
echo "+======================================+"
echo ""
done
# 2D plane for verification:
$LMP -in energy.plane.in -log energy.plane.log -var STEPS $NSTEPS
if [ $NO_GNUPLOT ]
then
echo "No Gnuplot found, not plotting."
exit 0
fi
E0S=$( head -n 2 thermo.sphere.dat | tail -n 1 | awk '{ print $4 }' )
E0C=$( head -n 2 thermo.cylinder.dat | tail -n 1 | awk '{ print $4 }' )
E0T=$( head -n 2 thermo.torus.dat | tail -n 1 | awk '{ print $4 }' )
E0P=$( head -n 2 thermo.plane.dat | tail -n 1 | awk '{ print $4 }' )
echo "Plotting using Gnuplot"
gnuplot -e "E0S="$E0S -e "E0C="$E0C -e "E0T="$E0T -e "E0P="$E0P plot_energies.gpl
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