Unrecognized pair style 'deepmd' #3092
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alundilong
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if I use 'ldd lmp' to find which so files are linked,
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Thanks for the report. #3097 should fix it. |
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run 'lmp -i input.lammps' shows
LAMMPS (2 Aug 2023 - Update 2)
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 ...
orthogonal box = (0.224452 0.231356 -0.157463) to (37.82585 37.832754 37.443935)
1 by 1 by 1 MPI processor grid
reading atoms ...
900 atoms
read_data CPU = 0.002 seconds
ERROR: Unrecognized pair style 'deepmd' (src/force.cpp:271)
Last command: pair_style deepmd graph_compressed.pb
'lmp -h' shows the following, deepmd does NOT show up
born buck buck/coul/cut coul/cut coul/debye
coul/dsf coul/wolf reax mesont/tpm hybrid
hybrid/overlay hybrid/scaled lj/cut lj/cut/coul/cut lj/expand
morse soft table yukawa zbl
zero
However, Installation does indicate deepmd-kit is successfully compiled
[ 96%] Building CXX object CMakeFiles/lammps.dir/usr/Downloads/lammps-2Aug2023/src/write_coeff.cpp.o
[ 96%] Building CXX object CMakeFiles/lammps.dir/usr/Downloads/lammps-2Aug2023/src/write_data.cpp.o
[ 96%] Building CXX object CMakeFiles/lammps.dir/usr/Downloads/lammps-2Aug2023/src/write_dump.cpp.o
[ 97%] Building CXX object CMakeFiles/lammps.dir/usr/Downloads/lammps-2Aug2023/src/write_restart.cpp.o
[ 97%] Building CXX object CMakeFiles/lammps.dir/usr/Downloads/lammps-deepmd-package/deepmd-kit/source/lmp/compute_deeptensor_atom.cpp.o
[ 97%] Building CXX object CMakeFiles/lammps.dir/usr/Downloads/lammps-deepmd-package/deepmd-kit/source/lmp/fix_dplr.cpp.o
[ 97%] Building CXX object CMakeFiles/lammps.dir/usr/Downloads/lammps-deepmd-package/deepmd-kit/source/lmp/pair_deepmd.cpp.o
[ 97%] Building CXX object CMakeFiles/lammps.dir/usr/Downloads/lammps-deepmd-package/deepmd-kit/source/lmp/pppm_dplr.cpp.o
[ 98%] Building CXX object CMakeFiles/lammps.dir/usr/Downloads/lammps-2Aug2023/src/KSPACE/pppm.cpp.o
[ 98%] Building CXX object CMakeFiles/lammps.dir/usr/Downloads/lammps-2Aug2023/src/KSPACE/fft3d.cpp.o
[ 98%] Building CXX object CMakeFiles/lammps.dir/usr/Downloads/lammps-2Aug2023/src/KSPACE/fft3d_wrap.cpp.o
[ 98%] Building CXX object CMakeFiles/lammps.dir/usr/Downloads/lammps-2Aug2023/src/KSPACE/remap.cpp.o
[100%] Building CXX object CMakeFiles/lammps.dir/usr/Downloads/lammps-2Aug2023/src/KSPACE/remap_wrap.cpp.o
[100%] Building CXX object CMakeFiles/lammps.dir/usr/Downloads/lammps-2Aug2023/src/EXTRA-FIX/fix_ttm.cpp.o
[100%] Linking CXX shared library liblammps.so
I have seen other users have reported similar issue, but I believe mine is different from them.
Btw, I am running the code on Desktop, not on cluster. Thank you for your attention.
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