Attribute Error while training a basic MACE model.

[RISHAV01CODER]

I was trying to implement the example code in the tutorial but am facing a problem -

My script: C:> python .\Macerepo\mace\mace\cli\run_train.py --name="Mace_model" --train_file="C:\botnetdata\BOTNet-datasets\dataset_3BPA\tra
in_300K.xyz" --valid_fraction=0.05 --test_file="C:\botnetdata\BOTNet-datasets\dataset_3BPA\test_300K.xyz" --E0s='{1:-13.6631812922312
26, 6:-1029.2809654211628, 7:-1484.1187695035828, 8:-2042.0330099956639}' --model="ScaleShiftMACE" --hidden_irreps='32x0e' --r_max=4.
0 --batch_size=2 --max_num_epochs=4 --ema --ema_decay=0.99 --amsgrad --default_dtype="float32" --device=cpu --seed=123 --swa
(all commands written in a single line).

Error showing: AttributeError: 'Namespace' object has no attribute 'beta'.

I am using windows powershell.
Link to the full output which was displayed on the powershell - https://docs.google.com/document/d/1Op_i95U6347nG9udBzBEDdejJXCNnrAHSx1yma_27eI/edit

and below is a snippet of the code block in run_train.py file:

Can anyone pls suggest what is wrong here? What should I do?

[ilyes319]

hey @RISHAV01CODER ,

What pytorch version are you using? Also what is your MACE version?

[ilyes319]

I am seeing your are using mace 0.3.5 can you please make sure to update to the latest version which is 0.3.6. Please do pip install --upgrade mace-torch

[RISHAV01CODER]

Yes, it's working. The model is training now it seems. Thanks for the help @ilyes319 !

However, I was getting a runtime error. Can it be due to the limitation of memory in my computer? I have attached the output here.

(RuntimeError: File Mace_model.model cannot be opened.)
mace run 28aug24.pdf

[ilyes319]

Are you on a windows machine?

[RISHAV01CODER]

Yes, I'm using windows. Mine is a HP i7- 16GB RAM system.

[ilyes319]

Then it is a path problem. Try naming your model something different. But this is not really a problem, you already have the model saved and training complete.

[RISHAV01CODER]

Hello Sir, I'm using the torch version - 2.3.1+cu118. And MACE version 0.3.5 . Regards, Rishav Mitra

…

On Thu, Aug 15, 2024 at 10:36 PM Ilyes Batatia ***@***.***> wrote: hey @RISHAV01CODER <https://github.com/RISHAV01CODER> , What pytorch version are you using? Also what is your MACE version? — Reply to this email directly, view it on GitHub <#552 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/A4REDOGHOVOCWPLVAHWVTZTZRTNXPAVCNFSM6AAAAABMSQLKJKVHI2DSMVQWIX3LMV43URDJONRXK43TNFXW4Q3PNVWWK3TUHMYTAMZVGA2DKNQ> . You are receiving this because you were mentioned.Message ID: ***@***.***>

[RISHAV01CODER]

Ok sir, I'll do it. Thanks! Regards, Rishav M.

…

On Thu, Aug 15, 2024 at 10:42 PM Ilyes Batatia ***@***.***> wrote: I am seeing your are using mace 0.3.5 can you please make sure to update to the latest version which is 0.3.6. Please do pip install --upgrade mace-torch — Reply to this email directly, view it on GitHub <#552 (reply in thread)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/A4REDOCMQNODNLWXUJPB26LZRTOOBAVCNFSM6AAAAABMSQLKJKVHI2DSMVQWIX3LMV43URDJONRXK43TNFXW4Q3PNVWWK3TUHMYTAMZVGA2TENY> . You are receiving this because you were mentioned.Message ID: ***@***.***>