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**Summary**
Checking for whether the number of "sel" is big enough in training is not working. Users can train with extremely small values without "WARNING".
But the performance gain in training kee…
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Recent version of lammps changes gridcomm.h , (looks like version newer than Jun 10, 2021) remove forward_comm_kspace from file.
Same with reverse_comm_kspace .
Therefore, during installing deepmd…
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We are training a set of data which is a methane molecule system. But it always went wrong when we began to train the data. DeepMD-kit only told us that "Floating point exception (core dumped)", witho…
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**Summary**
Automatic conversion of frozen model file from v1 compatible to v2 compatible.
**Detailed Description**
After the upgrading to DeePMD-kit v2, the frozen models trained with v1…
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**Summary**
Using kit-2.0.0 to conduct "dp test" would raise error of OOM. Not seen with previous version on the same system.
**Deepmd-kit version, installation way, input file, running comman…
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**Summary*
I use "dp compress -i SiClda1.pb input.json -o SiCldaC1.pb" to compress a model and it goes wrong. How can I adress this problem?
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I want to run LAMMPS with the latest version of Deepmd. I have installed Deepmd through the python interface. What is the procedure for it?
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**Summary**
Using 2.0 beta3 to convert a version-1.3 model, then compress it together with the original training script "input,json" (manually revised to fitting the "strict" check in 2.0), raise dim…
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**Summary**
In a SE_A descriptor's example, when we choose the activation function of the descriptor in input.json to be 'gelu' and train it on GPU, and then use this model.pb to run lammps, we w…
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Hi, Developers:
**Summary**
When I use deviation calculate with multi models(float precision), terminal occur **segmentation fault (core dumped)** before MD.
However it works in single model …