--------------------------------------------------------------------------
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:              pd-compute-3-40
  Local adapter:           qib0
  Local port:              1

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

  Local host:   pd-compute-3-40
  Local device: qib0
--------------------------------------------------------------------------
[pd-compute-3-40.local:27437] [[6661,0],0] ORTE_ERROR_LOG: Data unpack would read past end of buffer in file util/show_help.c at line 507
[pd-compute-3-40.local:27437] [[6661,0],0] ORTE_ERROR_LOG: Data unpack would read past end of buffer in file util/show_help.c at line 507
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
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 "/scratch.hyperion/kim-jobs/jobs/bwaters/job-fdff1a03-eede-4924-838b-dd63d11a10e7-007-ec3fee3f-6a62-4863-a9ca-c1fdc4221ec7/TE_175540441720_001-and-MO_959249795837_003-1666131996/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":3.54,"usertime":0.97,"systime":1.83,"memmax":30696,"memavg":0}