In /usr/local/lib & /usr/local/include, check if you have the libraries and header files, respectively, for
- BLAS (libblas.a)
- LAPACK (liblapack.a)
Installing libctl
Reference: http://ab-initio.mit.edu/wiki/index.php/Libctl
Install FFTW
Reference: http://www.fftw.org/fftw3_doc/Installation-and-Customization.html
Important: you will also need to install the MPI FFTW libraries (this just means including
--enable-mpi
in the FFTW configure
flags)On SGI (Silicon Graphics) machine
export LDFLAGS="-L$HOME/scratch/fftw-3.3.4/lib -L/apps/HDF5/1.8.14/share/lib -L//apps/MPB/LIBCTL/3.2.2/lib"
export CPPFLAGS="-I$HOME/scratch/fftw-3.3.4/include -I/apps/HDF5/1.8.14/include -I/apps/MPB/LIBCTL/3.2.2/include"
export WM_CFLAGS="$WM_CFLAGS -DMPI_NO_CPPBIND -DSGIMPI"
gcc -lmpi
On Fujitsu machine
export LDFLAGS="-L/apps/FFTW/3.3.4-gcc-4.8.2/lib -L"
export CPPFLAGS="-I/apps/FFTW/3.3.4-gcc-4.8.2/include -I"
export LDFLAGS="-L/apps/FFTW/3.3.4-gcc-4.8.2/lib -L"
export CPPFLAGS="-I/apps/FFTW/3.3.4-gcc-4.8.2/include -I"