a) Download, uncompress and create build folder
Download ELPA from:
http://elpa.mpcdf.mpg.de/elpa-tar-archive
Version 2016.11.004 is tested
tar xf elpa-2016.05.004.tar.gz
cd elpa-2016.05.004
mkdir build (as per developers suggestions)
cd build
b) Load intel 17 compilers
module load icc_17-impi_2017
c) configure, make and make install
../configure SCALAPACK_LDFLAGS="-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -Wl,-rpath,$MKLROOT/lib/intel64" SCALAPACK_FCFLAGS="-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -I$MKLROOT/include/intel64/lp64" --prefix=PATH/OF/THE/BUILD/FOLDER/
make
make install
a) Download, uncompress and create build folder
Download here: http://octopus-code.org/wiki/Libxc:download
Version 2.2.2 is tested
tar xf libxc-2.2.2.tar.gz
cd libxc-2.2.2
b) run autoconf, configure then make and make install
autoreconf -i
(I got a warning here, doesn't seem to give any further error)
./configure --prefix=PATH/to/the/library/folder/libxc
make
make install
a) Download, uncompress
Download here: https://sourceforge.net/projects/libint/files/v1-releases/libint-1.1.5.tar.gz/download
Version 1.1.5 is tested
tar xf libint-1.1.5.tar.gz
cd libint-1.1.5
c) load intel 17 compilers:
module load icc_17-impi_2017
d) Configure and install
Instructions on the original arch file hold:
env AR=xiar FC=ifort F77=ifort F90=ifort FCFLAGS="-O2 -xHost -ipo" CC=icc CFLAGS="-O2 -xHost -ipo" CXX=icpc CXXFLAGS="-O2 -xHost -ipo" ./configure --prefix=/gscratch/scrubbed/lflo/cp2k2017/cp2k/libint-1.1.5/OBJDIR --with-cc-optflags="-O2 -xHost -ipo" --with-cxx-optflags="-O2 -xHost -ipo" --with-libint-max-am=5 --with-libderiv-max-am1=4
make
make install
a) Clone
git clone https://github.com/hfp/libxsmm.git
b) Make
make -f Makefile