#!/bin/bash
#set -x
########################################################################
# SUN Grid Engine job wrapper
# parallel job on opteron queue
########################################################################
#$ -N  Kb100-J8
#$ -pe mpi2_14 60
#$ -q wp10
#$ -j y
#$ -M yinzping@physics.rutgers.edu
#$ -m e
#$ -v WIEN_DMFT_ROOT,LD_LIBRARY_PATH
########################################################################
# DON'T remove the following line!
source $TMPDIR/sge_init.sh
########################################################################
source ~/.bashrc

if [ `uname -r` = "3.11.10-21-desktop" ]; then
export LD_LIBRARY_PATH=/opt/intel/mkl/lib/intel64/:/opt/intel/lib/intel64/:/opt/intel/composer_xe_2013_sp1.3.174/compiler/lib/intel64/
export WIENROOT=/opt/apps/wien/wien2k_12/
export SCRATCH=.
export WIEN_DMFT_ROOT=/opt/apps/dmft/bin/
export PATH=$WIENROOT:$WIEN_DMFT_ROOT:$PATH
export PYTHONPATH=$WIEN_DMFT_ROOT:$PYTHONPATH
export SMPD_OPTION_NO_DYNAMIC_HOSTS=1
export OMP_NUM_THREADS=1
fi

export WIEN_DMFT_ROOT=/home/yinzping/dmft_w2k_2014/newbin_wp12
export PYTHONPATH=/home/yinzping/dmft_w2k_2014/newbin_wp12
#export SCRATCH="."
export WIENROOT=/home/yinzping/wien2k_12_wp12/
export SMPD_OPTION_NO_DYNAMIC_HOSTS=1
export OMP_NUM_THREADS=16


JOBNAME="K122"

mkdir K122
mv * K122
cd K122

echo "/opt/mpich2/intel/14.0/bin/mpiexec  -n $NSLOTS  -machinefile $TMPDIR/machines -port $port -envlist LD_LIBRARY_PATH -env OMP_NUM_THREADS 1" > mpi_prefix.dat

rm  ./*.[12345]*.[12]
rm ./*.?.[12]
rm ./*_[01234567]*
tar -zxvf imp.0.tar.gz


cp $TMPDIR/machines xmachines

/home/yinzping/dmft_w2k_2014/newbin_wp12/createW2kmachinef.py $JOBNAME.klist $TMPDIR/machines
/home/yinzping/dmft_w2k_2014/newbin_wp12/createDMFprefix.py $JOBNAME.klist mpi_prefix.dat > mpi_prefix.dat2


python /home/yinzping/dmft_w2k_2014/newbin_wp12/run_dmft.py > wnohup.dat 2>&1
rm ./*.vector*  ./*.broyd*