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Commit 5ae07df6 authored by mkirsz's avatar mkirsz
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Merge branch 'develop' of git.ecdf.ed.ac.uk:tadah/tadah.mlip into develop

parents c11b7617 97b13e25
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# 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.
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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.
# 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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