Closed Youjin1985 closed 6 months ago
Hi @Youjin1985, I think the model you save is the M3GNet model class. I believe you save the model like lightning_module.model.model.save() and please use lightning_module.model.save() instead. It should work and please let me know if any questions.
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0.9.1
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I retrained M3GNet-MP-2021.2.8-PES potentials following tutorial from https://matgl.ai/tutorials%2FTraining%20a%20M3GNet%20Potential%20with%20PyTorch%20Lightning.html using collected structures, energy, forces and stresses data from our structure relaxations. When I attempt to relax any structure using that potential, I got error AttributeError: 'M3GNet' object has no attribute 'calc_stresses'
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