-------------------------------------------------------------------------- By default, for Open MPI 4.0 and later, infiniband ports on a device are not used by default. The intent is to use UCX for these devices. You can override this policy by setting the btl_openib_allow_ib MCA parameter to true. Local host: c009 Local adapter: mlx5_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c009 Local device: mlx5_0 -------------------------------------------------------------------------- Traceback (most recent call last): File "../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner", line 458, in a, c, cohesive_energy = get_lattice_constant(symbol, model, maxiter=500) File "../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner", line 152, in get_lattice_constant raise RuntimeError( RuntimeError: The model provided, Sim_LAMMPS_AGNI_BotuRamprasad_2015_Al__SM_526060833691_000, does not possess a non-trivial energy interaction for species Al as required by this Test. Aborting. Command exited with non-zero status 1 {"realtime":2.44,"usertime":2.42,"systime":12.46,"memmax":229580,"memavg":0}