9.7. MD: cannot run LAMMPS after installing a new version of DeePMD-kit
This typically happens when you install a new version of DeePMD-kit and copy directly the generated
USER-DEEPMD to a LAMMPS source code folder and re-install LAMMPS.
To solve this problem, it suffices to first remove
USER-DEEPMD from LAMMPS source code by
and then install the new
If this does not solve your problem, try to decompress the LAMMPS source tarball and install LAMMPS from scratch again, which typically should be very fast.