8.8.3
#!/bin/sh
VERSION=8.8.3
INSTALLDIR=/local/apl/lx/abinit883WORKDIR=/work/users/${USER}
TARBALL=/home/users/${USER}/abinit-${VERSION}.tar.gz#----------------------------------------------------------------------------
umask 0022cd ${WORKDIR}
if [ -d abinit-${VERSION} ]; then
mv abinit-${VERSION} abinit_erase
rm -rf abinit_erase &
fimodule purge
module load intel_parallelstudio/2017update4tar zxf ${TARBALL}
cd abinit-${VERSION}export LANG=C
export CC=mpiicc
export FC=mpiifort
export CXX=mpiicpc
export CFLAGS="-fPIC"./configure --prefix=${INSTALLDIR} \
--with-linalg-flavor=mkl \
--with-fft-flavor=fftw3-mkl \
--enable-mpi-inplace \
--with-mpi-level=2 \
--with-dft-flavor=bigdft+libxc+atompaw+wannier90make multi multi_nprocs=12
## test
# ulimit -s unlimited
# cd tests
# ./runtests.py -w Test_suite_serial >& tests_serial.log
# ./runtests.py -n4 -w Test_suite_n4 >& tests_n4.log
# cd ../
make install