Runs python functions on worker threads with main thread communicating with sql db


Keywords
forcefield, hpc-applications, quantum-chemistry
License
MIT
Install
pip install hrcl-jobs==1.7.0

Documentation

Hierarchical Python Jobs (hrcl_jobs)

Installation

pip install hrcl-jobs

NOTE if you are using macos, you might need to do the following to install with pip

brew install mpich
sudo find / -name mpicc

And then run the pip install with the path to your mpicc

env MPICC=/yourpath/mpicc pip3 install hrcl-jobs