Add pip install git+https://gitlab.com/ase/ase user advice on FrechetCellFilter ImportError and allow ase_filter to be str
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janosh
commented
Dec 9, 2023
chgnet/model/dynamics.py
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| @@ -89,7 +89,7 @@ def __init__( | |||
| self.device = f"cuda:{cuda_devices_sorted_by_free_mem()[-1]}" | |||
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| # Move the model to the specified device | |||
| self.model = (model or CHGNet.load()).to(self.device) | |||
| self.model = (model or CHGNet.load().float()).to(self.device) | |||
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@BowenD-UCB Not sure it's generally a good idea to lower model precision? But I can't use the model on MPS without it.
Should we restrict the precision lowering to MPS?
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Never mind, not actually an issue with CHGNet. Was caused by running MACE and CHGNet in the same session. MACE calls torch.set_default_dtype(torch.float64), affecting all other torch models used concurrently.
@ilyes319 Can we make dtype fully local to MACE to make it compatible with other models?
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janosh
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Dec 11, 2023
| "should no longer be used. Run pip install git+https://gitlab.com/ase/ase to " | ||
| "install from main branch." | ||
| ) | ||
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@BowenD-UCB We now print this advice when ase.filters.FrechetCellFilter can't be imported.
janosh
changed the title
pip install git+https://gitlab.com/ase/ase user advice and allow ase_filter to be str
janosh
changed the title
pip install git+https://gitlab.com/ase/ase user advice and allow ase_filter to be strpip install git+https://gitlab.com/ase/ase user advice on FrechetCellFilter ImportError and allow ase_filter to be str
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chgnet/chgnet/model/dynamics.py
Line 92 in db40e05