This repository documents how to build and run LAMMPS with the pair_symmetrix interface for MACE-based machine learning interatomic potentials on the LUMI supercomputer using AMD MI250X GPUs.
hpc cuda gpu-acceleration supercomputer lammps mace kokkos multi-gpu shell-scripting bash-scripting supercomputing symmetrix lumi amd-gpu
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Updated
Jul 14, 2026