#!/bin/bash
##set -x
########################################################################
# SUN Grid Engine job wrapper
# parallel job on opteron queue
########################################################################
#$ -N FS-b40-6
#$ -pe mpi2 40-80
#$ -q wp02
#$ -j y
#$ -M jtomczak@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

export WIENROOT=/home/users/jtomczak/wien2k
export PYTHONPATH=/home/users/jtomczak/dmft_w2k_111/bin
export WIEN_DMFT_ROOT=/home/users/jtomczak/dmft_w2k_111/bin
export SCRATCH="."

PATH=$PATH:$WIEN_DMFT_ROOT

export OMP_NUM_THREADS=1
export SMPD_OPTION_NO_DYNAMIC_HOSTS=1
source /etc/profile.d/ifortvars_intel64.sh
#source /opt/intel/mkl/11.1/tools/environment/mklvarsem64t.sh
#source /opt/intel/mkl/9.0/tools/environment/mklvarsem64t.sh

source /opt/intel/Compiler/11.1/072/mkl/tools/environment/mklvarsem64t.sh
#source /opt/intel/Compiler/11.1/072/mkl/tools/environment/mklvarsem64t.sh
#echo "/opt/mpich2/intel/11.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port $port  -np $NSLOTS -machinefile $TMPDIR/machines" > mpi_prefix.dat
##echo "/opt/mpich2/intel/11.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/11.1/lib/em64t -port $port  -np $NSLOTS -machinefile $TMPDIR/machines" > mpi_prefix.dat


jobpath=$(pwd)
echo "$jobpath" >> /home/users/jtomczak/jlist

# Copy current imp.x subdirectory, if exists.
scp -r rupc05:$SGE_O_WORKDIR/imp.? $jobpath 
###$HOME/$jobdir/

sh clean.sh
rm mpi_prefix.dat
echo "/opt/mpich2/intel/11.1/bin/mpiexec  -n $NSLOTS  -machinefile $TMPDIR/machines -port $port -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t -env OMP_NUM_THREADS 1" > mpi_prefix.dat

gunzip *.gz


#/opt/mpich2/intel/11.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/11.1/lib/em64t -port $port  -n $NSLOTS -machinefile $TMPDIR/machines -env OMP_NUM_THREADS 1 ./dmft dmft1.def > cnohup.dat 2>&1



# First, run one LDA iteration, to get EF
# $WIENROOT/run_lapw -s lapw0 -e lcore -f R > lnohup.dat 2>&1
# Run dmft
# $WIEN_DMFT_ROOT/run_dmft.py -f M1 > wnohup.dat 2>&1

rm wnohu*
date >>info.iterate

echo "START"
./run_dmft.py -f FeSi > wnohup.dat 2>&1
echo "END"
date
ls -l > ls.dat
ls -lt >lst.dat
date >>history.dat