Bug summary
Dear developers,
I found that my lammps running based on trained dp models will only work if I use CPU, while when I use GPU, the NVT temperature control crashes, and I'm quite confused why this happens, could you please give me some suggestions? I have attached all the related documents and hopefully they can be useful. Many thanks.
Best wishes,
Lingjun
DeePMD-kit Version
3.1.1
Backend and its version
PyTorch v2.8.0
How did you download the software?
Offline packages
Input Files, Running Commands, Error Log, etc.
Steps to Reproduce
All input files, including the data file, the pth file and the in file were included as above in the zip files.
Further Information, Files, and Links
No response
Bug summary
Dear developers,
I found that my lammps running based on trained dp models will only work if I use CPU, while when I use GPU, the NVT temperature control crashes, and I'm quite confused why this happens, could you please give me some suggestions? I have attached all the related documents and hopefully they can be useful. Many thanks.
Best wishes,
Lingjun
DeePMD-kit Version
3.1.1
Backend and its version
PyTorch v2.8.0
How did you download the software?
Offline packages
Input Files, Running Commands, Error Log, etc.
Steps to Reproduce
All input files, including the data file, the pth file and the in file were included as above in the zip files.
Further Information, Files, and Links
No response