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Loading ASE calculator from model trained with basic config template fails #211
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Hi Ali, Sorry for the late response, we were all attending a conference these last few days. The Path you need to specify is the one to ".../directory/experiment". We could however provide a better error message. Best |
No worries, Moritz, I hope the conference went well. I have tried that directory and get the same error, unfortunately... Any idea what could be going wrong? |
Currently, model loading assumes that you are in the same directory the training was started from. directory: models
experiment: exp then you should be able to to load a model into ASE via I am not sure if you are attempting to load the model from a different relative path, but I suspect that might be the issue here. The setup described above is what I use for working with apax standalone. |
Ah, yes, I was trying to load it from one directory above the training directory. Other codes I use (and want to compare against) don't interface with IPSuite so I wasn't using it, hence this issue. Thank you for your help! |
No problem! thanks for raising this issue. |
Hello,
I am trying to create an ASE calculator from a trained model like this:
Inside test_model-1 is the config file used to train the model, as well as the outputs (in
models/apax
):This config file is the one generated by
apax template train
with the training and validation data paths filled in and number of training and validation structures updated.When I try to make the calculator (to use for testing the model), I get this error:
I have tried adding in the default model section from the
apax template train --full
to my config, but I still got the same error.I also tried setting the directory argument in the ASECalculator to
test_model-1/models/apax
with the same results.Am I loading the calculator incorrectly?
Thanks,
-Ali
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