-------------------------------------------------------------------------- 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: c023 Local adapter: mlx5_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c023 Local device: mlx5_0 -------------------------------------------------------------------------- Traceback (most recent call last): File "../../td/EquilibriumCrystalStructure_Unconstrained_TypeLabels__TD_495406822220_000/runner", line 279, in do_LAMMPS_run(LAMMPS_DATA_TEMPLATE%i,LAMMPS_RESULTS_TEMPLATE%i,LAMMPS_DUMP_TEMPLATE%i,modelname) File "../../td/EquilibriumCrystalStructure_Unconstrained_TypeLabels__TD_495406822220_000/runner", line 230, in do_LAMMPS_run raise RuntimeError("LAMMPS run failed.") RuntimeError: LAMMPS run failed. Command exited with non-zero status 1 {"realtime":2.67,"usertime":0.58,"systime":1.91,"memmax":66312,"memavg":0}