--------------------------------------------------------------------------
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:              acn63
  Local adapter:           mlx5_0
  Local port:              1

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

  Local host:   acn63
  Local device: mlx5_0
--------------------------------------------------------------------------
/usr/local/lib/python3.8/dist-packages/ase/optimize/lbfgs.py:188: RuntimeWarning: divide by zero encountered in scalar divide
  rho0 = 1.0 / np.dot(y0, s0)
/usr/local/lib/python3.8/dist-packages/ase/optimize/lbfgs.py:134: RuntimeWarning: invalid value encountered in scalar multiply
  a[i] = rho[i] * np.dot(s[i], q)
Traceback (most recent call last):
  File "../../td/ElasticConstantsCrystal__TD_034002468289_000/runner", line 50, in <module>
    test(
  File "/usr/local/lib/python3.8/dist-packages/kim_tools/test_driver/core.py", line 248, in __call__
    self._calculate(**kwargs)
  File "/scratch.global/bwaters/jobs/bwaters/job-73731f79-e5dc-4985-a605-3e276b784dd4-007-5f2d654d-9167-483d-a409-7f7137383163/TE_649155281026_000-and-SM_714124634215_000-1725051593/staged_job_files/repository/td/ElasticConstantsCrystal__TD_034002468289_000/test_driver/test_driver.py", line 44, in _calculate
    moduli.results(method=method, escalate=escalate, space_group=space_group, sg_override=sg_override)
  File "/scratch.global/bwaters/jobs/bwaters/job-73731f79-e5dc-4985-a605-3e276b784dd4-007-5f2d654d-9167-483d-a409-7f7137383163/TE_649155281026_000-and-SM_714124634215_000-1725051593/staged_job_files/repository/td/ElasticConstantsCrystal__TD_034002468289_000/test_driver/elastic.py", line 878, in results
    return elastic_constants_raw, elastic_constants_raw_error_estimate, elastic_constants_names, elastic_constants_values, elastic_constants_values_error_estimate, elastic_constants, message
UnboundLocalError: local variable 'elastic_constants_raw' referenced before assignment
Command exited with non-zero status 1

{"realtime":113384.67,"usertime":51837.58,"systime":98180.34,"memmax":186808,"memavg":0}