MOLECULE package – LAMMPS Installation

Dear LAMMPS users,

I want to run a LAMMPS simulation using HPC that include the Linux version of LAMMPS (14 Dec 2021), but I face the below error just after running the simulation:

ERROR: Unrecognized atom style ‘full’ is part of the MOLECULE package which is not enabled in this LAMMPS binary. (src/atom.cpp:741)
Last command: atom_style full

I found that using make yes-all and make yes-molecule can add MOLECULE package. The HPC admin executed the above two commands but this error still persists. I appreciate it if anyone helps me with this issue. Since I am not familiar with making changes in the installation of LAMMPS in HPC (Linux version), it would be helpful if you provide any solution step by step.


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