-------------------------------------------------------------------------- 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 -------------------------------------------------------------------------- -------------------------------------------------------------------------- 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 -------------------------------------------------------------------------- -------------------------------------------------------------------------- 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/GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_003/runner", line 101, in thetas, relaxed_energies, minimum_distances, sigmas = compute_gb_tilt_energy( File "/mmfs1/scratch/bwaters2/bwaters/job-029cf4be-875d-4e33-88f3-ee15e0dbc2f1-007-d903a72c-e9e7-4f09-9f7e-30e97375aa98/TE_288691353820_001-and-MO_119135752160_005-1700158977/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":4.17,"usertime":0.68,"systime":2.25,"memmax":59828,"memavg":0}