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v2.2.0 is known to have the issue #2398. |
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I get an error when I train out a model in the GPU version of deepmd-kit and run MD with it in lammps
LAMMPS (23 Jun 2022 - Update 1)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
using 1 OpenMP thread(s) per MPI task
Loaded 1 plugins from /opt/software/anaconda3/envs/deepmd/lib/deepmd_lmp
Loaded 0 plugins from
pair_style deepmd R134a.pb
Summary of lammps deepmd module ...
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