Skip to content

How to obtain a float32 LAMMPS-runnable pretrained model #22

@alphalm4

Description

@alphalm4

Hello developers,
I'm using the best two models (2L-OAM-L, 2L-OMAT-L) from grace foundational model list for benchmark uMLIPs,
and now especially doing something like speed benchmark.

We have already gathered initial results and shared them as a preprint,
but recently I realized that the grace models use float64 by default, whereas SevenNet runs in float32, which might mislead the results.

Is there any way to obtain float32-model for LAMMPS MD of GRACE-2L-OAM-L?
I have the cached model in $HOME/.cache/grace/GRACE-2L-OMAT-large-ft-AM and read about Change model's floating point precision but still not clear how to proceed it.

Thanks!

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions