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this should be fixed after wrapping comm op as a pure c++ implementation.
Line: 135
https://github.com/deepmodeling/deepmd-kit/blob/d0fe13cbd8a305f08c23cef703c62d323313b2b8//source/api_cc/src/DeepPot…
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Line: 167
https://github.com/deepmodeling/deepmd-kit/blob/76371ceed2fd0d8e259e482e046da350d4006c0a//deepmd/tf/utils/multi_init.py#L164-L174
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### Bug summary
I modified the 'deepmd/train/trainer.py' file, and added some codes for gradient:
print('开始获取梯度信息')
# 计算损失函数相对于输入坐标的梯度
coord_p…
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Hi community,
This RFC is about a proposal to refactor DPGEN workflow with a new design based on DFlow
A typical DPGEN2 configuration is like the below:
https://github.com/deepmodeling/dpgen2/…
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Issue Summary:
I'm using a DeepMD neural network potential to model the AlN-GaN interface, using a ~6000 atom interface model.
Im running modecode as mpirun -np ${SLURM_NTASKS} modecode fd 0.01 6.0 …
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### Summary
In the initial phase of 03.fp in the second loop of dpgen, an error message appears as follows:
INFO:dpgen:-------------------------iter.000002 task 05--------------------------
INFO:dp…
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Use the variable TF_DETERMINISM_OPS to turn on deterministic paths in tensorflow. They are three other variables impacting the parallelism `OMP_NUM_THREADS`, `TF_INTER_OP_PARALLELISM_THREADS`, and `TF…
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### Bug summary
When I perform dpgen run, there is an erro in the 'train' part. The job is always terminated.
I look for train.log in the remote platform where 'train' part is performed. There seems…
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**Prettier 3.2.5**
[Playground link](https://prettier.io/playground/#N4Igxg9gdgLgprEAuEBaABAZxgTwDZwA6hA+lAIYC2c6AvOgFQAmADngE4OFQbb5GkK1OuhKsOJbr1wEyVGvTFt2JEABoQEFjACW0TMlDl27CAHcACsYQGU5PGfI4DGgEb…
njzjz updated
2 months ago
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### Discussed in https://github.com/deepmodeling/deepmd-kit/discussions/3935
Originally posted by **francescomambretti** July 1, 2024
Dear all, I have a question concerning the usage of `sel`…