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INSTALL GFORTRAN COMPILER UBUNTU HOW TO
INSTALL GFORTRAN COMPILER UBUNTU INSTALL

Take a look at the template file ~abinit/doc/build/config-template.ac9.įor example, the setting of LINALG_LIBS in this template file is givenīy the line #LINALG_LIBS="-L/usr/local/lib -llapack -lblas". When fine tuning variables and flags for a particular linux distribution, it is advised to The directory was extracted via dpkg -L liblapack-dev and dpkg -L libblas-dev. The LINALG_LIBS variable was explicitly set for this linux distrubution. One uses ‘-‘ when typing a flag but ‘_’ inside the config file, e.g. # MPI settings with_mpi = "yes" enable_mpi_io = "yes" # linear algebra settings with_linalg_flavor = "netlib" LINALG_LIBS = "-L/usr/lib/x86_64-linux-gnu -llapack -lblas" # mandatory libraries with_libxc = "yes" with_hdf5 = "yes" with_netcdf = "yes" with_netcdf_fortran = "yes" Note that it is also possible to generate these libraries via the ABINIT fallbacks: LIBXC, a library containing exchange-correlation potentials, from the libxc-dev package. These libraries are available via the libhdf5-dev, libnetcdf-dev and libnetcdff-dev packages from apt.įor parallel IO, the libpnetcdf-dev is required.

HDF5, NetCDF and NetCDF-Fortran, libraries to write/read binary files in netcdf4 format.

mkl from Intel (or you might try the libmkl-full-dev package).

INSTALL GFORTRAN COMPILER UBUNTU INSTALL

MPICH from apt ( libmpich-dev package) or ĭepending on your distribution, you might need to manually add the mpi-default-dev package,Ī fallback (see next point) is available inside ABINIT (basic version of lapack),īut you might want to install a math library yourself, especially for parallel computations:.

Open MPI from apt ( libopenmpi-dev package) or.

To use but more optimized for intel architecture.Ī MPI library installed (If you want to benefit from parallelism recommended). This is a commercial compiler, slightly more complicated Ubuntu or similar Ubuntu-based distributions

INSTALL GFORTRAN COMPILER UBUNTU HOW TO

Then we discuss how to compile the source code.Ī possible list of prerequisites (tested for Ubuntu 19.10) is:

The prerequisites are first discussed qualitatively, because the installation mayĭepend on the linux distribution. YAML-based test suite Python tools and API Zero-point renormalization of the band gap and temperature-dependent band gaps Tutorial on polarization and finite electric fields Calculation of *U* and J using Cococcioni's approach