-------------------------------------------------------------------------- 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: c402-092 Local adapter: hfi1_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c402-092 Local device: hfi1_0 -------------------------------------------------------------------------- Traceback (most recent call last): File "../../td/GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_002/runner", line 98, in thetas, relaxed_energies, minimum_distances, sigmas = compute_gb_tilt_energy( File "/work/07753/dskarls/stampede2/jobs/dskarls/job-28315b6e-8a97-4062-942e-425b82a6799a-007-740e20fc-c1b7-4606-a022-d6a58aa137f2/TE_918853243284_002-and-MO_058537087384_001-1653084122/staged_job_files/repository/td/GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_002/compute_gb_tilt_energy.py", line 434, 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":3.62,"usertime":7.74,"systime":19.00,"memmax":54408,"memavg":0}