"ERROR: Unrecognized atom style 'full' " while running Lammps after run Moltemplate

Dear all Lammps and Moltemplate user,

I am currently practicing the Moltemplate.
My first run is Butane example included in Moltemplate package. After successfully running the README_setup.sh file, the error message comes out when I run the README_run.sh file:

LAMMPS (17 Feb 2022)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)

  • using 1 OpenMP thread(s) per MPI task*
    ERROR: Unrecognized atom style ‘full’ is part of the MOLECULE package which is not enabled in this LAMMPS binary. (src/atom.cpp:751)
    Last command: atom_style full
    LAMMPS (17 Feb 2022)
    OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  • using 1 OpenMP thread(s) per MPI task*
    ERROR: Unrecognized atom style ‘full’ is part of the MOLECULE package which is not enabled in this LAMMPS binary. (src/atom.cpp:751)
    Last command: atom_style full

I have double checked all document and manual I have been given, followed all installation steps exactly, and google search for a while, but still can’t fix the problem. My Lammps can run alone smoothly, only for the file from Moltemplate has this issue.

Thank you so much in advance!
I appreciate any advice

Sorry, but you didn’t read and follow all installation instructions or else you would not see the error message. This has very little to do with moltemplate, but with how you configured and compiled/installed LAMMPS. you obviously didn’t configure and compile a LAMMPS binary including the MOLECULE package (and you’ll likely also need the KSPACE package). If you read through the documentation, you should read about configuration presets and you should use the “basic” preset to have those packages enabled.

I seriously doubt that your LAMMPS executable can run the peptide example input or the rhodo benchmark input.

Dear Axel,

Thank you for point it out.
I followed the steps here : 8.6.4. Using LAMMPS on Windows 10 with WSL — LAMMPS documentation.
I ran the cmake …/cmake/presets/basic.cmake …/cmake and following make -j 4.
I also try -D PKG_MOLECULE=yes from 3.6. Include packages in build — LAMMPS documentation
I am not pretty sure if there are more actions I have to take in addition to the installation steps above?

Thank you so much for kind assistance

There is nothing that I can do based on the information you provide. If those steps have completed without an error and you are using the resulting executable, there should be no error. I also already told you how to test it.