Cannot execute lmp with deepmd when build from source as described in doc

[MabinogiX]

Summary

I have installed deepmd and lammps in plugin mode following the instruction in
https://github.com/deepmodeling/deepmd-kit/blob/master/doc/install/install-from-source.md and
https://github.com/deepmodeling/deepmd-kit/blob/master/doc/install/install-lammps.md.
However I got this error when executor command ${deepmd_root}/bin/lmp -i in.lammps -v restart 0:
ERROR: Unrecognized pair style 'deepmd' (src/force.cpp:279)

DeePMD-kit Version

v2.1.5

TensorFlow Version

2.9

Python Version, CUDA Version, GCC Version, LAMMPS Version, etc

No response

Details

The problem can be solved by:

cd ${deepmd_root}/lib
ln -s libdeepmd_lmp.so dpplugin.so

Then executor lmp:

LAMMPS_PLUGIN_PATH=${deepmd_root}/lib/  ${deepmd_root}/bin/lmp -i in.lammps -v restart 0

I'm not sure if this is my problem.

[MabinogiX]

Another way to solve it:

export LD_LIBRARY_PATH="${deepmd_root}/lib/:$LD_LIBRARY_PATH"
LAMMPS_PLUGIN_PATH=${deepmd_root}/lib/deepmd_lmp /root/deepmd-kit/bin/lmp -i in.lammps -v restart 0

[njzjz]

Another way to solve it:

export LD_LIBRARY_PATH="${deepmd_root}/lib/:$LD_LIBRARY_PATH"
LAMMPS_PLUGIN_PATH=${deepmd_root}/lib/deepmd_lmp /root/deepmd-kit/bin/lmp -i in.lammps -v restart 0

The documentation is clear enough as shown below:

[MabinogiX]

1. $deepmd_root/lib has to be added into LD_LIBRARY_PATH and I haven't found it in doc.
2. I suggest adding information about checking if the installation is successful at the end of the doc: https://github.com/deepmodeling/deepmd-kit/blob/master/doc/install/install-lammps.md
   Or just adding the url of lammps-command.md at the end of the doc.

The command ${deepmd_root}/bin/lmp -h is unable to indicate whether deepmd is installed successfully with lammps.
At that time I didn't realize that there is another doc which has those information.

[njzjz]

LD_LIBRARY_PATH is not required if you have set -D LAMMPS_INSTALL_RPATH=ON.

[MabinogiX]

-D LAMMPS_INSTALL_RPATH=ON has been set in my case, however I cannot execute lmp unless $deepmd_root/lib is added into LD_LIBRARY_PATH.
Here is my directory tree:

.
├── deepmd-kit    # deepmd-kit2.1.5 source code
├── deepmd_lammps    # INSTALL_PREFIX of DeePMD-kit's C++ interface and LAMMPS
├── lammps-23Jun2022    # lammps source code
└── tf_cpp    # tensorflow's C++ interface

DeePMD-kit's C++ interface:

mkdir /root/deepmd-kit/source/build
cd /root/deepmd-kit/source/build
cmake -DTENSORFLOW_ROOT=/root/tf_cpp/ -DCMAKE_INSTALL_PREFIX=/root/deepmd_lammps/ -DLAMMPS_SOURCE_ROOT=/root/lammps-23Jun2022/ -DUSE_CUDA_TOOLKIT=TRUE ..
make -j12
make install

LAMMPS:

mkdir /root/lammps-23Jun2022/build
cd /root/lammps-23Jun2022/build
cmake -D PKG_MC=ON -D PKG_PLUGIN=ON -D PKG_KSPACE=ON -D LAMMPS_INSTALL_RPATH=ON -D BUILD_SHARED_LIBS=yes -D CMAKE_INSTALL_PREFIX=/root/deepmd_lammps/ -D CMAKE_INSTALL_LIBDIR=lib -D CMAKE_INSTALL_FULL_LIBDIR=/root/deepmd_lammps/lib ../cmake
make -j12
make install

Then execute command:

LAMMPS_PLUGIN_PATH=/root/deepmd_lammps/lib/deepmd_lmp /root/deepmd_lammps/bin/lmp -i in.lammps -v restart 0

I got this error:
ERROR: Unrecognized pair style 'deepmd' (src/force.cpp:279)

After executing export LD_LIBRARY_PATH="/root/deepmd_lammps/lib:$LD_LIBRARY_PATH", lammps can be executed with the command above.
Did I miss something?

[njzjz]

You can check RUNPATH by readelf -d liblammps.so.

I think your TF is not in RUNPATH.

[MabinogiX]

You can check RUNPATH by readelf -d liblammps.so.

I think your TF is not in RUNPATH.

Yes, my RUNPATH is /root/deepmd_lammps/lib:/usr/lib/x86_64-linux-gnu/openmpi/lib and I cannot set RUNPATH in .bashrc.

I installed tensorflow C++ interface by running the script $deepmd_source_dir/source/install/build_tf.py