Fortran MPI exploration

Exploring a simple MPI cartesian grid with halo region updates, mpi_f08, havaita, some clever encapsulation, and general project structure and architecture.

Specifications
Getting Started
Development Tools
Documentation
Contributing
Contact
License
Appendix

Specifications

Key features implemented:

MPI Cartesian Grid
- 3D topology with configurable dimensions and periodicity
- Automatic decomposition via MPI_Dims_create
- Neighbor discovery using MPI_Cart_shift
Halo Region Updates
- Blocking communication via MPI_SendRecv
- Static transfer buffers for real and integer types
- Interface-based type handling
Boundary Conditions
- Periodic (MPI-handled), Dirichlet, Neumann
- Integrated with MPI topology for domain boundaries
- Parameterized boundary types per face

Future Improvements

Modern MPI Interface
- Migration to mpi_f08 for improved type safety
- Enhanced error handling and propagation
- Fortran 2008 submodules for implementation hiding
Advanced Communication
- Non-blocking halo exchanges via MPI_Isend/MPI_Irecv
- One-sided communication options for boundaries
- Derived datatypes for halo regions
Development Infrastructure
- Parallel testing framework with fpm
- Distributed logging system
- Performance benchmarking suite

Getting Started

Prerequisites

Linux OS or WSL2 via Windows
GFortran or oneAPI Fortran compiler
MPI/MPICH installation. Currently testing on OpenMPI v5.0.2

Optional

VS Code installation
Modern Fortran extension installation

Step-by-step instructions

Load compiler modules (if using a compute cluster):

module load gcc openmpi
# or
module load intel intelmpi

Create and activate a Python environment:

python3 -m venv .venv
source .venv/bin/activate  # Remember to activate your enviroment before runtime or development tasks.

Install the runtime and development packages:

pip3 install .  # Install runtime dependencies from pyproject.toml
pip3 install .[dev]  # Install development dependencies

Run the tests and main program:

fpm test  # by default it uses gcc/gfortran to compile and run
fpm run sendrecv_1D

Development Tools

The template includes preconfigured development tools and settings for Modern Fortran development, with optimized configurations for:

VS Code integration
Language server features
Code formatting
Automated testing
Package management

For detailed setup instructions and tool configurations, see TOOLING.md.

Profiling

For information on profiling, see PROFILING.md.

Documentation

Automated documentation is generated by using the ford package. For example config files and usage, see here.

To generate dcoumentation for this sample project, and then view it on the browser, run:

ford ford.md
firefox docs/ford/index.html  # Alternatively, use your preferred browser

Contributing

Contributions from the community are welcome. To contribute, consider opening an issue or pull request with changes and suggestions.

Contact

For questions or suggestions, please contact me at email or open an issue.

License

The project is operating under an MIT license. You are free to use, modify, and distribute the code as needed for your project. Feel free to adapt and customize it to suit your requirements.

Appendix

Project Directory Structure

$ tree -Ia '__pycache__|.git|.pytest_cache|.venv|build|.gen*|ford'
.
├── app  # The main program driver(s) resides here
│   └── main.f90
├── docs
│   ├── MIGRATION.md
│   └── TOOLING.md
├── ford.md  # FORD config file
├── .fortls  # VSCode Modern Fortran config file
├── fpm.toml  # Fortran Package Manager config file
├── .fprettify.rc  # fprettify config file
├── .gitignore  # Git ignore list of files and directories
├── LICENSE
├── .pre-commit-config.yaml  # pre-commit config file
├── pyproject.toml  # config file
├── README.md  # you are here!
├── src  # All source code files are placed in here, except main driver
│   └── first_steps.f90
├── test  # All tests are placed in here
│   └── check.f90
└── .vscode  # Holds VSCode configs and runtime/debugging tasks
    ├── extensions.json  # simply populates the "Recommended" Extensions tab
    └── settings.json  # also referred to as "Workspace Settings (JSON)"

References and Links

License

MatthAlex/mpi-project-exploration

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