#!/bin/bash
##set -x
########################################################################
# SUN Grid Engine job wrapper
# parallel job on opteron queue
########################################################################
#$ -N RS-K
#$ -pe mpi2 10-64
#$ -q wp02m
#$ -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.
#rcp -r rupc06:$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

rm *.phi
rm *outputkernel*

#/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*

echo "START"

/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 ./wienkernel >out.kernel

#./run_dmft.py -so -f alpha-Ce > wnohup.dat 2>&1
#x lapw1 -c -band -f FeSi
#./x_dmft.py dmftp
echo "END"
#rm *vector*

rm *vector* *energy* *kgen* 
rm Udmft.0 sig* *weight* *symop*
rm *.pmat*
rm Basic*
rm wienker*

ls -l > ls.dat
ls -lt >lst.dat
date >> history.dat