Inquiry regarding GPU acceleration for Spin-Lattice Dynamics (SLD) with MLIAPs

[akohlmey]

@Zeyu_Xiang

Could you please advise if the current SLD implementation (e.g., via the SPIN package) supports GPU execution

What is available is described in the manual. I don’t see any mention of GPU support.

@Zeyu_Xiang

Machine Learning Interatomic Potentials (MLIAPs), such as Allegro or NequIP

Neither of these two potential implementations are part of LAMMPS, so we cannot comment on those.