build-octopus-par.sh
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	#!/bin/bash -l

	# Build octopus (www.tddft.org) for sequential only (no OMP, no MPI) package
	module purge
	module load intel intel-mpi intel-mkl fftw gsl

	# prefix location
	mkdir install
	INSTALL=$(pwd)/install

	# build libxc first
	#wget 'http://www.tddft.org/programs/octopus/down.php?file=libxc/libxc-3.0.0.tar.gz' -O libxc-3.0.0.tar.gz
	wget 'http://www.tddft.org/programs/libxc/down.php?file=3.0.0/libxc-3.0.0.tar.gz' -O libxc-3.0.0.tar.gz
	tar xvfz libxc-3.0.0.tar.gz

	cd libxc-3.0.0
	./configure --prefix=$INSTALL CC=icc CFLAGS="-O2 -ip -ftz" FC=ifort FCFLAGS="-O2 -ip -ftz"
	if [ $? -eq 0 ]; then
	make -j4
	if [ $? -eq 0 ]; then
	make install
	fi
	fi
	cd ..



	# build octopus
	#wget 'http://www.tddft.org/programs/octopus/down.php?file=7.1/octopus-7.1.tar.gz' -O octopus-7.1.tar.gz
	wget 'http://octopus-code.org/down.php?file=7.1/octopus-7.1.tar.gz' -O octopus-7.1.tar.gz
	tar xzvf octopus-7.1.tar.gz

	cd octopus-7.1
	./configure --prefix=$INSTALL \
	--enable-openmp --enable-mpi \
	--with-libxc-prefix=$INSTALL \
	--with-gsl-prefix=${GSL_ROOT} \
	--disable-zdotc-test \
	--with-blas="-L${MKLROOT}/lib/intel64 -lmkl_intel_lp64 -lmkl_core -lmkl_intel_thread -lpthread -lm" \
	--with-fftw-prefix=${FFTW_ROOT} \
	CC=mpiicc CFLAGS="-O2 -ip -ftz -openmp" \
	FC=mpiifort FCFLAGS="-O2 -ip -ftz -openmp"
	if [ $? -eq 0 ]; then
	make -j4
	if [ $? -eq 0 ]; then
	make install
	# make check
	fi
	fi