I recently got hooked in OpenKim as a LAMMPS user. I had no problem installing it on my Arch Linux laptop and it runs fine. However, on my Fedora laptop (an MSI which is more powerful), this is not the case.
I actually could install openkim-models and kim-api packages from the fedora repository on my system. I also compiled LAMMPS using the cmake procedure which found KIM-api. Yet when using a MEAM model on a 4000 atoms crystal systems I got an unusually long simulation time for a single equilibration when calling it through the kim command. I compared it with the MEAM pair style of LAMMPS which run fine with the same input files and gives same results (1m28 on 8 cpus for 2 minimizations with 0 tolerance for the energy and forces, one including pressure equilibration). The OpenKim implementation takes 7mn. Does the api or any part of the code need to be compiled with mpi? Should I install it from source? The simulation script are rather standard and I got no error so that’s why I did not provide them but I can obviously provide them if needed.
Since the LAMMPS version works with regular speed and input files, and since the OpenKim implementation I used was installed system wide through the repository of Fedora, I prefer to ask this question here than on the LAMMPS forum.