Installation

TorchFort can be installed in multiple ways but we highly recommend building and using a Docker container.

Docker Installation

We provide a Dockerfile which contains all relevant dependencies and builds using the NVIDIA HPC SDK software libraries and compilers, which is our recommended way to build TorchFort. In order to build TorchFort using Docker, simply clone the repo and call:

docker build -t torchfort:latest -f docker/Dockerfile .

from the top level directory of the repo. Inside the container, TorchFort will be installed in /opt/torchfort.

We provide an alternative docker file Dockerfile_gnu which can be used to build TorchFort using GNU compilers. Additionally, we provide a docker file Dockerfile_gnu_cpuonly which can be used to build TorchFort using GNU compilers without GPU support enabled.

CMake Installation

For a native installation TorchFort provides a CMakeList.txt file. Please make sure that the following required packages are installed on your system before installing TorchFort:

• Requirements for core functionality and examples:

  • CUDA 12.1 or newer

  • python version 3.6 or higher

  • pybind11

  • yaml-cpp from https://github.com/jbeder/yaml-cpp.git

  • MPI

  • NVIDIA Collective Communication Library (NCCL)

  • HDF5

  • the Python modules specified in requirements.txt

  • GNU or NVHPC compilers. NVHPC compilers are required if CUDA Fortran device array support is desired.

• Additional requirements for building this documentation:

  • Doxygen

  • the Python modules specified in docs/requirements.txt

For CPU-only builds, CUDA and NCCL are not required.

To build TorchFort, clone the repo then call the following from the root directory:

mkdir build && cd build
cmake -DCMAKE_INSTALL_PREFIX=<TorchFort installation prefix> \
      -DTORCHFORT_YAML_CPP_ROOT=<path to yaml-cpp installation> \
      -DTORCHFORT_BUILD_EXAMPLES=1 \
      -DCMAKE_PREFIX_PATH="`python -c 'import torch;print(torch.utils.cmake_prefix_path)'`" \
    ..
make -j install

See the top level CMakeList.txt file for additional CMake configuration options.

Build Documentation

The documentation can be built with the corresponding Makefile in the docs directory. Make sure that the requirements are installed and call:

cd docs && make html

The docs will be located in docs/_build/html and can be viewed locally in your web browser.

Directory Structure

Independent of how you decide to install TorchFort, the directory structure will be as follows:

<TorchFort installation prefix>
|--- bin
     |--- examples
          |--- cpp
          |--- fortran
     |--- python
|--- include
|--- lib

The bin folder contains the examples written in C++ or Fortran located in the corresponding subdirectories. The python subfolder contains the Python wrappers for Weights and Biases Support.

The Fortran module torchfort.mod as well as the C headers can be found inside the include folder and the dynamic libraries inside the lib folder.