Installation

Important files and directories

  • doc/Directory for manuals

    • doc/index.html : Index page

  • src/ : Directory for the sources of the library

  • example/ : Directory for the sample program

  • test/ : Directory for tests

  • configure : Configuration script for the build

Prerequisite

libtetrabz requires the following

  • fortran and C compiler

  • MPI library (If you use MPI/Hybrid version)

Installation guide

  1. Download .tar.gz file from following web page.

    https://github.com/mitsuaki1987/libtetrabz/releases/

  2. Uncompress .tar.gz file and enter the generated directory.

    $ tar xzvf xzvf libtetrabz_1.0.1.tar.gz
$ cd libtetrabz

  3. Configure the build environment.

    $ ./configure --prefix=install_dir

    Then, this script checks the compiler and the libraries required for the installation, and creates Makefiles. install_dir indicates the full path of the directory where the library is installed (you should replace it according to your case). If none is specified, /use/local/ is chosen for storing libraries by make install (Therefore, if one is not the admin, install_dir must be specified to the different directory). configure has many options, and they are used according to the environment etc. For more details, please see Options for configure.

  4. After configure finishes successfully and Makefiles are generated, please type

    $ make

    to build libraries. Then please type

    $ make install

    to store libraries and the sample program to install_dir/lib and install_dir/bin, respectively. Although one can use libraries and the sample program without make install, they are a little different to the installed one.

  5. Add the libtetrabz’s library directory (install_dir/lib) to the search path of the dynamically linked program (environment variable LD_LIBRARY_PATH).

    $ export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:install_dir/lib

  6. Sample programs using libtetrabz are also compiled in example/ .

    example/dos.x : Compute DOS of a tight-binding model in the cubic lattice. The source code is dos.f90

    _images/dos.png

    Density of states of the tight-binding model on the cubic lattice calculated by using dos.x. The solid line indicates the result converged about the number of \(k\). “ \(+\) “ and “ \(\times\) “ indicate results by using the linear tetrahedron method and the optimized tetrahedron method, respectively with \(8\times8\times8 k\) grid.

    example/lindhard.x : Compute the Lindhard function. The source code is lindhard.f90

    _images/lindhard.png

    (solid line) The analytical result of the Lindhard function. “ \(+\) “ and “ \(\times\) “ indicate results by using the linear tetrahedron method and the optimized tetrahedron method, respectively with \(8\times8\times8 k\) grid.

Options for configure

configure has many options and environment variables. They can be specified at once. E.g.

$ ./configure --prefix=/home/libtetrabz/ --with-mpi=yes FC=mpif90

All options and variables have default values. We show a part of them as follows:

---prefix

Default: ---prefix=/usr/local/. Specify the directory where the library etc. are installed.

--with-mpi

Default: --with-mpi=no (without MPI). Whether use MPI (--with-mpi=yes), or not.

--with-openmp

Default: --with-openmp=yes (with OpenMP). Whether use OpenMP or not (--with-openmp=no).

--enable-shared

Default: --enable-shared. Whether generate shared library.

--enable-static

Default: --enable-static. Whether generate static library.

FC, C

Default: The fortran/C compiler chosen automatically from those in the system. When --with-mpi is specified, the corresponding MPI compiler (such as mpif90) is searched. If FC printed the end of the standard-output of configure is not what you want, please set it manually as ./configure FC=gfortran.

--help

Display all options including above, and stop without configuration.