clqcd / pyquda

Use Python for lattice QCD research based on the QUDA library.

PyQUDA

Python wrapper for QUDA written in Cython.

This project aims to benefit from the optimized linear algebra library CuPy in Python based on CUDA. CuPy and QUDA will allow us to perform most lattice QCD research operations with high performance. PyTorch is an alternative option.

This project is based on the latest QUDA develop branch. PyQUDA should be compatible with any commit of QUDA after May 2023, but leave some features disabled.

Installation

Refer to https://github.com/CLQCD/PyQUDA/wiki/Installation for detailed instruction to install PyQUDA from source.

Benchmark

Refer to https://github.com/CLQCD/PyQUDA/wiki/Benchmark for detailed instruction to run PyQUDA benchmark.

Development

We recommend building PyQUDA using in-place mode instead of installing PyQUDA for development.

git clone https://github.com/CLQCD/PyQUDA.git
cd PyQUDA
export QUDA_PATH=/path/to/quda/build/usqcd
python3 setup.py build_ext --inplace

Now you can modify Python files in the project and immediately get the new result by running scripts. Adding the root directory to sys.path is needed if you are running scripts from other directories.

Maintenance

Function definitions (mainly in quda.in.pxd and pyquda.in.pyx) and most docstrings (mainly in pyquda.pyi and enum_quda.in.py) should be manually updated as they cannot be autogenerated now. This also means PyQUDA should work well with future versions if the API remains unchanged.