Hi, I am trying to install LAMMPS with a Echemdid package. Following steps on EChemDID-SEI/README.md at master · hacortesp/EChemDID-SEI · GitHub,
I downloaded the lammps-31Aug2021 version and then copy EChemDID-31Aug2021/ (that is in ECHEMDID.tar.gz) into LAMMPS/src/ECHEMDID,
from src type: make yes-kspace yes-manybody yes-molecule yes-rigid yes-reaxff yes-qeq yes-echemdid
So far no errors happen, but after I final type “make mpi”, I got errors and stop compilation, like this screenshot here.
Can you compile the same version with no packages? From the look of things, this might be a compiler issue rather than a LAMMPS or Eschemdid issue. Was MPI compiled with a reasonable C++ compiler?
I vaguely recall having some trouble with GCC 12.2.0 around the end of last year that went away when I switched to the most recent GCC 11.X version. Beyond that vague suggestion (which shouldn’t cost you too much time) I’m not sure what else could be responsible for that error.
You could also try compiling your code with the same version of GCC used to compile your MPI library.
I don’t think this has anything to do with the Echemdid package. This looks more like you have compiled parts LAMMPS with a different C++ compiler. Try make clean-mpi and then make mpi again to remove all existing objects and recompile from scratch.
