-------------------------------------------------------------------------- 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: c006 Local adapter: mlx5_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c006 Local device: mlx5_0 -------------------------------------------------------------------------- -------------------------------------------------------------------------- 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: c006 Local adapter: mlx5_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c006 Local device: mlx5_0 -------------------------------------------------------------------------- -------------------------------------------------------------------------- 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: c006 Local adapter: mlx5_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c006 Local device: mlx5_0 -------------------------------------------------------------------------- Traceback (most recent call last): File "../../td/GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_003/runner", line 101, in thetas, relaxed_energies, minimum_distances, sigmas = compute_gb_tilt_energy( File "/mmfs1/scratch/bwaters2/bwaters/job-36ed0ef9-f58c-41be-9b95-cc3a2788ae5c-007-2a00a687-5f8b-4176-af80-38df668c9f05/TE_629863933937_000-and-MO_786012902615_000-1701369799/staged_job_files/repository/td/GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_003/compute_gb_tilt_energy.py", line 473, in compute_gb_tilt_energy raise RuntimeError( RuntimeError: Error: LAMMPS did not generate a dump file -- something probably went wrong. Command exited with non-zero status 1 {"realtime":2.37,"usertime":1.99,"systime":8.38,"memmax":57780,"memavg":0}