Comments (2)
mzjb
commented on August 28, 2024
First error
The progress bar
100%|##########| 10/10 [42:54<00:00, 257.49s/it]
shows the process of generating the crystal graph file, which only needs to be done once for the same dataset. It looks like this is a lot slower than the general case, how many atoms are contained in the 10 structures?
The error
TypeError: __init__() got an unexpected keyword argument 'verbose'
is because you are using PyTorch with a newer version than 1.9.1. You can modify line 133 of the file /home/k0171/k017113/miniconda3/envs/deeph/lib/python3.9/site-packages/deeph/utils.pyto avoid this error: remove , verbose=False
Second error
Please set multiprocessing to False for the ini config file of deeph-train.
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chouyoudou
commented on August 28, 2024
Thank you very much.
The first error was fixed.
The 10 structures contained 64 atoms respectively; It is much faster after I set the multiprocessing to False, and so does the second error.
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