--------------------------------------------------------------------------
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:              c401-104
  Local adapter:           hfi1_0
  Local port:              1

--------------------------------------------------------------------------
--------------------------------------------------------------------------
WARNING: There was an error initializing an OpenFabrics device.

  Local host:   c401-104
  Local device: hfi1_0
--------------------------------------------------------------------------
Traceback (most recent call last):
  File "../../td/GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_003/runner", line 101, in <module>
    thetas, relaxed_energies, minimum_distances, sigmas = compute_gb_tilt_energy(
  File "/work2/08773/bwaters/stampede2/bwaters/job-0bb6e948-77a8-4a24-88b5-ad866dccc1fd-007-b364ab99-d625-4b11-9232-cec2e9b898e5/TE_989116099275_001-and-MO_427873955970_002-1683748316/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":5.77,"usertime":6.56,"systime":20.39,"memmax":79452,"memavg":0}