[BUG] ERROR: Unrecognized pair style 'deepmd' (src/force.cpp:271) 路 Issue #2939 路 deepmodeling/deepmd |
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Bug summary
I installed deepmd-kit using the command "conda create -n deepmd-2.2.4-cpu deepmd-kit=2.2.4=*cpu libdeepmd=2.2.4=*cpu lammps -c https://conda.deepmodeling.com -c defaults" and "conda create -n deepmd-1.3.3-cpu deepmd-kit=1.3.3=*cpu libdeepmd=1.3.3=*cpu lammps -c https://conda.deepmodeling.com -c defaults", but the installed lmp does't support deepmd pair style. DeePMD-kit Version2.2.4 and 1.3.3 TensorFlow Version2.9.0 and 2.4.1 How did you download the software?conda Input Files, Running Commands, Error Log, etc.LAMMPS (2 Aug 2023 - Update 1) WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (src/lammps.cpp:537) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task Reading data file ... triclinic box = (0 0 0) to (39.4221 39.4221 99.4221) with tilt (0 0 0) 2 by 4 by 7 MPI processor grid reading atoms ... 6144 atoms read_data CPU = 0.031 seconds ERROR: Unrecognized pair style 'deepmd' (src/force.cpp:271) Last command: pair_style deepmd ../dp-model.pb out_freq ${dumpfreq} out_file model_devi.out Steps to Reproducejust follow the example from github Further Information, Files, and LinksNo response |
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