LAMMPS cannot run after installing deepmd-kit v3.1.1 #5073
Description
Bug summary
pip install deepmd-kit[gpu,cu12,lmp,torch], after successfully installing deepmd-kit, you can train normally, but lmp cannot run normally.
lmp -h : 2025-12-02 21:31:16.308015: I tensorflow/core/platform/cpu_feature_guard.cc:210] This TensorFlow binary is optimized to use available CPU instructions in performance-critical operations.
To enable the following instructions: AVX2 FMA, in other operations, rebuild TensorFlow with the appropriate compiler flags.
To get the best performance, it is recommended to adjust the number of threads by setting the environment variables OMP_NUM_THREADS, DP_INTRA_OP_PARALLELISM_THREADS, and DP_INTER_OP_PARALLELISM_THREADS. See https://deepmd.rtfd.io/parallelism/ for more information.
DeePMD-kit Version
3.1.1
Backend and its version
[2025-12-02 19:29:44,959] DEEPMD INFO Backend: PyTorch [2025-12-02 19:29:44,959] DEEPMD INFO PT ver: v2.8.0+cu128-ga1cb3cc05d4
How did you download the software?
pip
Input Files, Running Commands, Error Log, etc.
lmp -h :
2025-12-02 21:31:16.308015: I tensorflow/core/platform/cpu_feature_guard.cc:210] This TensorFlow binary is optimized to use available CPU instructions in performance-critical operations.
To enable the following instructions: AVX2 FMA, in other operations, rebuild TensorFlow with the appropriate compiler flags.
To get the best performance, it is recommended to adjust the number of threads by setting the environment variables OMP_NUM_THREADS, DP_INTRA_OP_PARALLELISM_THREADS, and DP_INTER_OP_PARALLELISM_THREADS. See https://deepmd.rtfd.io/parallelism/ for more information.
Steps to Reproduce
Further Information, Files, and Links
No response