I’m building lammps (30July2021-Patch) from the make command and the following issue came up. I initially built the gpu library on mixed precision and it went smoothly. However, the make mpi went sideways with a fatal error.
any help would be highly appreciated
This is a known issue with the traditional make based build that has already been fixed in the development branch. It should go away if you also install the EXTRA-PAIR package. If you do not want to do that, you can either use CMake to build LAMMPS which does not suffer from this issue, download a snapshot of the current “master” branch from GitHub, or wait until later today when we make a new patch release available with this (and several other issues corrected).
Thank you very much Axel. Installing the EXTRA-PAIR package works like a charm.