Weekly Progress of DeePMD-kit 20221031

[HuangJiameng]

What's new

• log HIP_VISIBLE_DEVICES for ROCm #2032
• uncouple model precision and interface precision #2031
• build_tf.py: support ROCm; bump to TF 2.10 #2030
• dp test output files: energy per atom, virial per atom #2029

Issue

• Not found lib/'hip_hcc' when compile the DeePMD-kit's C++ interface using ROCm4.0.1  #1400
• Automatically configure the ROCM environment #690
  These two issues are both fixed in Fix compatibility with ROCm>=3.5.1; fix typo in hip neighbor_list #2012
• [Feature Request] Output per-atom energy/virial or provide number of atoms for dp test #2002
• axis_rule of local_frame #1962
• [BUG] compatibility with ROCm 5 #2009

Discussion

• Incompatible problem when install libtensorflow_cc by conda #2036
• [LAMMPS] - Neighbor list overflow Error #2025
• [LAMMPS] Benchmarking Same As NVIDIA #2007
• error on LAMMPS with DPLR #1927
• atom type #2028
• Still failed to detect OP_CXX_ABI with the latest devel version #2023
• phonoLammps+deepMD-kit,error #2022
• Error while using sys_probs #2020
  fixed in handle float point error in sys_probs #1919