A problem in install of lammps with a new USER package

Dear Axel,

Now I have some problems in install of lammps with a new USER package. My research focuses on the extensional flow of polymers. And I use DPD thermostat. Previously, Dr. David Nicholson developed a user package called as USER-UEF that can be used for the simulation of extensional flow, and this package has been added into lammps. However, Nicholson told me that USER-UEF is not applicable to DPD thermostat, because USER-UEF stores only the thermal (or “peculiar”) component of velocity, while DPD uses the total relative velocity between pairs of particles. Luckily, Prof. Takahiro Murashima developed a new user package called as USER-UEFEX on the basis of USER-UEF, and this new package can be used for DPD thermostat. However, USER-UEFEX is not officially supported by lammps. Thus, I need to install it by myself.

Based on the suggestion of Murashima, I tried to install lammps with USER-UEFEX as follow:

# git clone [https://github.com/lammps/lammps.git](https://github.com/lammps/lammps.git)
# mkdir build
# cd build
# git clone https://github.com/t-murash/USER-UEFEX.git
# cp -r USER-UEFEX/USER-UEFEX/ lammps/src

In orde to let cmake recognize USER-UEFEX as the package, I added “USER-UEFEX” after “USER-UEF” in these files, including “path-to-lammps/cmake/presets/most.cmake”, “path-to-lammps/cmake/presets/all_off.cmake”, “path-to-lammps/cmake/presets/all_on.cmake” and “path-to-lammps/cmake/presets/mingw-cross.cmake”.

Then, to install lammps, I used “cmake3 -C …/cmake/presets/most.cmake -C …/cmake/presets/nolib.cmake -D PKG_USER-UEF=on -D PKG_USER-UEFEX=on -D PKG_GPU=on -D GPU_API=cuda -D GPU_PREC=double -D GPU_ARCH=sm_30 …/cmake”.

However, the screen still displayed that “CMake Warning: Manually-specified variables were not used by the project: PKG_USER-UEFEX”. I did not know whether USER-UEFEX was successfully installed. Thus, I used the example in the USER-UEFEX to test it. However, It showed that “ERROR: Unrecognized fix style ‘nve/uefex’ (src/modify.cpp:902)”. This means that the install of USER-UEFEX failed.

I do not know the reason and feel rather confused. Could you give me some advice? Many thanks!

Best wishes,

Yijing Nie