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Commit 97b13e25 authored by Marcin Kirsz's avatar Marcin Kirsz
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Update README.md

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# Massively Parallel version of Tadah!MLIP # Massively Parallel version of Tadah!MLIP
This project is currently under development. The goal is to enable the training of MLIPs using large datasets distributed across numerous HPC (supercomputer) nodes via MPI. The optimization of weights is performed using ScaLAPACK, facilitating efficient and scalable model training. This project is currently under development. The goal is to enable the training of MLIPs using large datasets distributed across numerous HPC (supercomputer) nodes via MPI. The optimization of weights is performed using ScaLAPACK, facilitating efficient and scalable model training.
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# For developers
- use develop branch
- Make use of CMake FETCHCONTENT_SOURCE_DIR_<uppercaseName> such that it points to the local copy of a MODULE:
- -DFETCHCONTENT_SOURCE_DIR_TADAH.LIBS=/full/local/path/to/TADAH/LIBS
- -DFETCHCONTENT_SOURCE_DIR_TADAH.CORE=/full/local/path/to/TADAH/CORE
- -DFETCHCONTENT_SOURCE_DIR_TADAH.MODELS=/full/local/path/to/TADAH/MODELS
- -DFETCHCONTENT_SOURCE_DIR_TADAH.MLIP=/full/local/path/to/TADAH/MLIP
- -DFETCHCONTENT_SOURCE_DIR_TADAH.MD=/full/local/path/to/TADAH/MD
- -DFETCHCONTENT_SOURCE_DIR_TADAH.HPO=/full/local/path/to/TADAH/HPO
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