--------------------------------------------------------------------------
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:              c442-003
  Local adapter:           hfi1_0
  Local port:              1

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

  Local host:   c442-003
  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-13aba049-086e-474f-84ae-7ee5409d8a34-007-5ae1f844-20f9-4db4-8bf4-13c7969cc115/TE_035582886963_001-and-MO_444394830472_002-1683761555/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":5.42,"usertime":6.32,"systime":20.30,"memmax":93524,"memavg":0}