#!/bin/bash
#PBS -q cyclades_batch
#PBS -l walltime=4:00:00
#PBS -l nodes=20:ppn=2:cyclades
#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.</p>

#cp $PBS_NODEFILE machinefile 

nnodes=`wc -l < $PBS_NODEFILE`
ppt=4  # processors per task
ppt=8
for num in 0 1 #2 3 4 5 6 7 8 9
do
  firstline=$((${nnodes} - ${num}*${ppt}))
  echo "$num : $firstline"
  tail -n $firstline < $PBS_NODEFILE | head -n $ppt > nodes$num
done


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

mpirun -n $ppt --machinefile nodes0 ${DYNAMIQ} old_fig2a.inp > /dev/null &
mpirun -n $ppt --machinefile nodes1 ${DYNAMIQ} old_fig2b.inp > /dev/null &
#mpirun -n $ppt --machinefile nodes2 ${DYNAMIQ} old_fig2c.inp > /dev/null &
#mpirun -n $ppt --machinefile nodes3 ${DYNAMIQ} old_fig2d.inp > /dev/null &
#mpirun -n $ppt --machinefile nodes4 ${DYNAMIQ} old_fig2e.inp > /dev/null &

#mpirun -n $ppt --machinefile nodes5 ${DYNAMIQ} fig2a.inp > /dev/null &
#mpirun -n $ppt --machinefile nodes6 ${DYNAMIQ} fig2b.inp > /dev/null &
#mpirun -n $ppt --machinefile nodes7 ${DYNAMIQ} fig2c.inp > /dev/null &
#mpirun -n $ppt --machinefile nodes8 ${DYNAMIQ} fig2d.inp > /dev/null &
#mpirun -n $ppt --machinefile nodes9 ${DYNAMIQ} fig2e.inp > /dev/null &


wait

rm -f nodes*

gnuplot fig2.gnuplot

researchblog.py fig2_cyclades.job