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INSTALL.rst

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Using pip

You can install mpi4py from its source distribution using pip:

$ python -m pip install mpi4py

You can also install the in-development version with:

$ python -m pip install git+https://github.com/mpi4py/mpi4py

or:

$ python -m pip install https://github.com/mpi4py/mpi4py/tarball/master

Installing from sources requires a C compiler and a working MPI implementation. The mpicc compiler wrapper is looked for on the executable search path (PATH environment variable). Alternatively, you can set the MPICC environment variable to the full path or command corresponding to the MPI-aware C compiler. The mpicc compiler wrapper is also used for linking mpi4py extension modules. Alternatively, you can set the MPILD environment variable to the full path or command corresponding to the MPI-aware C linker.

Warning

pip keeps previouly built wheel files on its cache for future reuse. If you want to reinstall the mpi4py package using a different or updated MPI implementation, you have to either first remove the cached wheel file with:

$ python -m pip cache remove mpi4py

or ask pip to disable the cache:

$ python -m pip install --no-cache-dir mpi4py

Using conda

The conda-forge community provides ready-to-use binary packages from an ever growing collection of software libraries built around the multi-platform conda package manager. Three MPI implementations are available on conda-forge: Open MPI (Linux and macOS), MPICH (Linux and macOS), and Microsoft MPI (Windows). You can install mpi4py and your preferred MPI implementation using the conda package manager:

  • to use MPICH do:

    $ conda install -c conda-forge mpi4py mpich

  • to use Open MPI do:

    $ conda install -c conda-forge mpi4py openmpi

  • to use Microsoft MPI do:

    $ conda install -c conda-forge mpi4py msmpi

MPICH and many of its derivatives are ABI-compatible. You can provide the package specification mpich=X.Y.*=external_* (where X and Y are the major and minor version numbers) to request the conda package manager to use system-provided MPICH (or derivative) libraries.

The openmpi package on conda-forge has built-in CUDA support, but it is disabled by default. To enable it, follow the instruction outlined during conda install. Additionally, UCX support is also available once the ucx package is installed.

Linux

On Fedora Linux systems (as well as RHEL and their derivatives using the EPEL software repository), you can install binary packages with the system package manager:

  • using dnf and the mpich package:

    $ sudo dnf install python3-mpi4py-mpich

  • using dnf and the openmpi package:

    $ sudo dnf install python3-mpi4py-openmpi

Please remember to load the correct MPI module for your chosen MPI implementation:

  • for the mpich package do:

    $ module load mpi/mpich-$(arch)
$ python -c "from mpi4py import MPI"

  • for the openmpi package do:

    $ module load mpi/openmpi-$(arch)
$ python -c "from mpi4py import MPI"

On Ubuntu Linux and Debian Linux systems, binary packages are available for installation using the system package manager:

$ sudo apt install python3-mpi4py

Note that on Ubuntu/Debian systems, the mpi4py package uses Open MPI. To use MPICH, install the libmpich-dev and python3-dev packages (and any other required development tools). Afterwards, install mpi4py from sources using pip.

macOS

macOS users can install mpi4py using the Homebrew package manager:

$ brew install mpi4py

Note that the Homebrew mpi4py package uses Open MPI. Alternatively, install the mpich package and next install mpi4py from sources using pip.

Windows

Windows users can install mpi4py from binary wheels hosted on the Python Package Index (PyPI) using pip:

$ python -m pip install mpi4py

Windows wheels require a separate, system-wide installation of the Microsoft MPI runtime package.