Distillation of foundation model for specific elements

[FrontierDev]

Is it possible to distil one of the foundation models to only include a specific set of elements? If so, how do I go about doing this?

[gabor1]

Why would you want to do that? The embedding mixes all the elements together.

[FrontierDev]

I'm currently having OOM issues trying to run MACE in LAMMPS, so I thought that it might make things lighter to run!

[gabor1]

MACE memory footprint and runtime does not scale with the number of elements, because of the embedding. Can you use more thank one GPU ? There is also a CPU version (via the Symmetrix package). Both scale excellently with the number of GPUs/CPUs

[FrontierDev]

Thank you for the clarification, I will give it a try.

[ilyes319]

What hardware are you running on? You can use MLIAP lammps interface with CUEQ to reduce the memory footprint too.