--------------------------------------------------------------------------
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:              acn112
  Local adapter:           mlx5_0
  Local port:              1

--------------------------------------------------------------------------
--------------------------------------------------------------------------
WARNING: There is at least non-excluded one OpenFabrics device found,
but there are no active ports detected (or Open MPI was unable to use
them).  This is most certainly not what you wanted.  Check your
cables, subnet manager configuration, etc.  The openib BTL will be
ignored for this job.

  Local host: acn112
--------------------------------------------------------------------------
/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-f7d6cbf5-8fdd-4b4a-9b11-f10f8988eafa-007-adacd31f-13b8-449b-b1d2-df8e2e9e4f08/TE_715313592021_000-and-SM_714124634215_000-1724450154/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-f7d6cbf5-8fdd-4b4a-9b11-f10f8988eafa-007-adacd31f-13b8-449b-b1d2-df8e2e9e4f08/TE_715313592021_000-and-SM_714124634215_000-1724450154/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":271500.87,"usertime":244898.89,"systime":1364385.90,"memmax":238220,"memavg":0}