-------------------------------------------------------------------------- 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: c406-032 Local adapter: hfi1_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c406-032 Local device: hfi1_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: c406-032 Local adapter: hfi1_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c406-032 Local device: hfi1_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: c406-032 Local adapter: hfi1_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c406-032 Local device: hfi1_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 "/work2/08773/bwaters/stampede2/bwaters/job-7b1d1f5a-a601-4b29-b682-40f6361ccee7-007-651c3608-ab89-4b4c-8de0-c000f3a629a8/TE_918853243284_003-and-MO_450093727396_002-1666132958/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":5.98,"usertime":7.53,"systime":19.54,"memmax":47448,"memavg":0}