MpiFx - Modern Fortran Interface for MPI

The open source library MpiFx provides modern Fortran (Fortran 2008) wrappers around routines of the MPI library to make their use as simple as possible. Currently several data distribution routines are covered.

The documentation is included inside the repository, but is also available at dftbplus.github.io.

Installation

The preferred way of obtaining MpiFx is to install it via the Conda package management framework using Miniconda or Anaconda. Make sure to add/enable the conda-forge channel in order to be able to access MpiFx, and ensure that the conda-forge channel is the first repository to be searched for packages.

We provide both, OpenMPI and MPICH based build variants, choose the one suiting your needs. For example, issue

conda install 'mpifx=*=mpi_mpich_*'

or

conda install 'mpifx=*=mpi_openmpi_*'

to get the last stable release of MpiFx for the respective MPI framework.

Building from source

Prerequisites

• CMake (version >= 3.16)
• Fortran 2008 compatible Fortran compiler
• MPI-library and wrappers for your compiler supporting the mpi_f08 interface
• Fypp preprocessor

Building and installing the library

The library can be built and installed with the usual CMake-workflow:

FC=gfortran cmake -B _build -DCMAKE_INSTALL_PREFIX=$HOME/opt/mpifx
cmake --build _build
cmake --install _build

You can influence the configuration via CMake-variables, which are listed in config.cmake. You can either modify the values directly there or pass them as command line options at the configuration phase, e.g.:

FC=ifort cmake -B _build -DBUILD_TESTING=NO .

Testing

A few tests / usage examples can be found in the test/ subdirectory, a sub-set of which can be checked with ctest. The compiled test programs will be in the test/ subfolder of your build directory.

To disable building tests, include the cmake option -DBUILD_TESTING=OFF

Using the library

CMake build

• Make sure to add the root folder of the installed library to the CMAKE_PREFIX_PATH environment variable.

• Use find_package() in CMakeLists.txt to locate the library and link MpiFx::MpiFx to every target which relies directly on the library

  cmake_minimum_required(VERSION 3.16)
  
  project(TestMpiFx LANGUAGES Fortran)
  
  find_package(MpiFx REQUIRED)
  
  add_executable(test_mpifx test_mpifx.f90)
  target_link_libraries(test_mpifx MpiFx::MpiFx)
  

Pkg-config build

• Make sure to add the lib/pkgconfig folder of the installed library to the PKG_CONFIG_PATH environment variable.

• Query the include and library options needed for the build with the usual pkg-config commands:

  mpifort $(pkg-config --cflags mpifx) test_mpifx.f90 $(pkg-config --libs mpifx)
  

  Note, that neither -cflags or --libs return any options related to your MPI-framework nor is the MPI-framework specified as dependency in the pkg-config file. Use the MPI-wrapper of your compiler to compile and link your executable or pass the additional include and library options by hand.

License

MpiFx is licensed under the 2-Clause BSD License.