Registry for trainer_name_mapping is empty

1

Hi,
I am trying to optimize a surface using equiformer_v2 as follows;
config_yml_path = r’equiformer_v2_N@20_L@6_M@3_153M.yml’
checkpoint_path = r’eq2_153M_ec4_allmd.pt’
calc = OCPCalculator(config_yml= config_yml_path ,checkpoint_path=checkpoint_path)
atom.calc = calc
However, I keep getting this error “RuntimeError: Registry for trainer_name_mapping is empty. You may have forgot to load a module.” → traced back to the registry.py
Could you please help me with this issue?

2

I get the same issue, did you fins a solution?

3

Hi -

Can you try making sure you’ve pulled the latest version of the repo.

The following works for me:

calc = OCPCalculator(
    checkpoint_path="eq2_153M_ec4_allmd.pt"
)

Otherwise, can you share an example script that I can try to reproduce on my end.