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Currently there is no CUDA 12 migrator PR for TensorFlow
Looking at the migrator it says `deepmd-kit` is a requirement. However am not seeing any references to `deepmd-kit` [when searching the `ten…
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### Discussed in https://github.com/deepmodeling/dpgen/discussions/1282
Originally posted by **Nancy877** July 20, 2023
Hello teacher,
When I use dpgen run, I meet the following errors:
INFO…
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when I run dpgen init_bulk ch4.json, I get the following error
Traceback (most recent call last):
File "/gpfs/share/home/2001110077/.local/bin/dpgen", line 8, in
sys.exit(main())
File "…
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The dpgen excute the fp calculation at the queue ljcluster, on another cluster using PBS. when the dpgen program try to get the job state (Q、H or R) it return an error:
![3e726b9f56a99d8007f562…
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### Summary
Implement the communication of OpenMM and DMFF trained model in c++ interface.
Enhance the production running efficiency with popular MD engine.
### Motivation
Instead of inheritin…
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### Summary
An error ：
Errors may have originated from an input operation.
Input Source operations connected to node save/RestoreV2:
In[0] save/Const:
In[1] save/RestoreV2/tensor_names:
In[2] …
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### Summary
Shift in energy test set and pressure when I run it on a dataset with different number of atoms with respect to the training one.
### DeePMD-kit Version
v2.1.1.dev80+g8c58455
### Tenso…
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In the training step of dpgen, there is a training set path in the input file, but after converting to v2, the training set path disappears. I have checked t
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### Summary
For the same input file, running it 20 times yields different results each time. When testing with the Tersoff potential function on Bohrium, it is found that the results are the same for…