#!/bin/bash
#PBS -q regular
#PBS -l walltime=5:59:59
#PBS -l mppwidth=80
#PBS -V

cd $PBS_O_WORKDIR

#title Debye Spectral Density (JCP110 4828 fig2)

#tag Debye
#tag DebyeOld

#blog <p>After previous failed attempts to reproduce the results of the
#blog bottom line of fig 2 from JCP110 4828, I'm trying to reproduce
#blog <emph>all</emph> the lines from that figure. We'll see if I see
#blog behavior that is qualitatively similar as eta increases.

DYNAMIQ=${DYNAMIQ_BASEDIR}/branches/dwhs/spinboson/dynamiq

aprun -n 8 ${DYNAMIQ} old_fig2a.inp &
aprun -n 8 ${DYNAMIQ} old_fig2b.inp &
aprun -n 8 ${DYNAMIQ} old_fig2c.inp &
aprun -n 8 ${DYNAMIQ} old_fig2d.inp &
aprun -n 8 ${DYNAMIQ} old_fig2e.inp &

aprun -n 8 ${DYNAMIQ} fig2a.inp &
aprun -n 8 ${DYNAMIQ} fig2b.inp &
aprun -n 8 ${DYNAMIQ} fig2c.inp &
aprun -n 8 ${DYNAMIQ} fig2d.inp &
aprun -n 8 ${DYNAMIQ} fig2e.inp 

wait

gnuplot fig2.gnuplot

researchblog.py fig2.job