UnboundLocalError: local variable 'output_data' referenced before assignment

[trevorgokey]

Describe the bug
Running jobs with qcfractal-manager, and came across this "failed" job:

[W 191116 19:55:18 managers:586] Job 369024 failed: unknown_error - Msg: QCEngine Execution Error:
    Traceback (most recent call last):
      File "/export/home/tgokey/opt/lib/python3.7/site-packages/qcengine-0.12.0-py3.7.egg/qcengine/util.py", line 74, in compute_wrapper
        yield metadata
      File "/export/home/tgokey/opt/lib/python3.7/site-packages/qcengine-0.12.0-py3.7.egg/qcengine/compute.py", line 86, in compute
        output_data = executor.compute(input_data, config)
      File "/export/home/tgokey/opt/lib/python3.7/site-packages/qcengine-0.12.0-py3.7.egg/qcengine/programs/psi4.py", line 134, in compute
        output_data["schema_name"] = "qcschema_output"
    UnboundLocalError: local variable 'output_data' referenced before assignment

There isn't anything else in the log regarding this job.

To Reproduce
Just spun up a manager... this is the failed job:

[D 191116 01:48:49 base_adapter:153] Submitted Task:
    {'id': '369024', 'spec': {'function': 'qcengine.compute', 'args': [{'molecule': {'symbols': ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'N', 'N', 'N', 'O', 'O', 'H', 'H', 'H', '
H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H'], 'geometry': [0.57426417, -1.76307953, -1.16386869, -1.47978368, -2.24619508, -2.75941109, 2.74413569, -3.24931665, -1.34716956, -1.33181318, -4.20770247, -4.5
1471714, 13.32191332, -8.35663934, -12.83410606, 11.44467574, -8.78436772, -11.03868877, 8.23420593, -6.55351199, -13.53594165, 2.90643258, -5.22572166, -3.10567323, 0.84445409, -5.70346844, -4.7099867, 12.65282185, -7.0102777, 
-15.00519621, 8.93197759, -7.90773264, -11.3598525, 10.15762671, -6.16505774, -15.27477129, 12.43132868, -5.06715346, -18.53910154, 4.67927175, -7.92177835, -9.23975043, 5.29529728, -6.8051532, -3.28146083, 0.9106814, -7.8429122
4, -6.62874052, 4.78079419, -9.28500297, -4.67875428, 12.84651209, -3.85373275, -21.03942941, 14.04207412, -6.26749508, -17.13523185, 3.46901028, -8.79729428, -7.06684771, 7.2380414, -8.46174168, -9.37478738, 3.53211844, -6.8187
0128, -10.93700297, 10.00778802, -4.91063299, -17.55305051, 0.48296456, -0.23916519, 0.21021945, -3.1766797, -1.09487934, -2.64203791, 4.34180367, -2.87932082, -0.1054238, -2.91940231, -4.57621612, -5.76946934, 15.23438845, -9.0
449066, -12.55556938, 11.91887755, -9.82707218, -9.3304528, 6.32496233, -5.88249497, -13.80579222, 6.76321643, -5.74408794, -4.29250307, 6.03371138, -7.19630468, -1.3859967, -0.26204768, -9.4189406, -5.96004396, 0.15060304, -7.2
1422316, -8.43483111, 6.5075239, -10.38278599, -4.9578624, 3.53561928, -10.48988482, -3.54591095, 11.61663072, -4.69734817, -22.47359554, 12.41252019, -1.83262451, -20.95148419, 14.81484793, -4.10679705, -21.59280923, 7.99605943
, -9.50891788, -7.97487656], 'masses': [12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 14.00307400443, 14.00307400443, 14.00307400443, 15.99491461957, 15.99491461957, 
1.00782503223, 1.00782503223, 1.00782503223, 1.00782503223, 1.00782503223, 1.00782503223, 1.00782503223, 1.00782503223, 1.00782503223, 1.00782503223, 1.00782503223, 1.00782503223, 1.00782503223, 1.00782503223, 1.00782503223, 1.0
0782503223, 1.00782503223], 'real': [True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True, True,
 True, True, True, True, True, True, True, True], 'fragments': [[0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39]], 'fragment_c
harges': [0.0], 'fragment_multiplicities': [1], 'schema_name': 'qcschema_molecule', 'schema_version': 2, 'name': 'C18H17N3O2', 'identifiers': {'molecule_hash': '56efe06472ee562b18994fa4b6334ff553f9dd23', 'molecular_formula': 'C1
8H17N3O2'}, 'comment': None, 'molecular_charge': 0.0, 'molecular_multiplicity': 1, 'atom_labels': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '
', '', '', '', '', '', '', ''], 'atomic_numbers': [6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 8, 8, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1], 'mass_numbers': [12, 12, 12, 12, 12, 12, 12, 12, 12, 12,
 12, 12, 12, 12, 12, 12, 12, 12, 14, 14, 14, 16, 16, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1], 'connectivity': [[0, 1, 1.0], [0, 2, 2.0], [0, 23, 1.0], [1, 3, 2.0], [1, 24, 1.0], [2, 7, 1.0], [2, 25, 1.0], [3, 8, 1.0],
 [3, 26, 1.0], [4, 5, 2.0], [4, 9, 1.0], [4, 27, 1.0], [5, 10, 1.0], [5, 28, 1.0], [6, 10, 2.0], [6, 11, 1.0], [6, 29, 1.0], [7, 8, 2.0], [7, 14, 1.0], [8, 15, 1.0], [9, 11, 2.0], [9, 18, 1.0], [10, 20, 1.0], [11, 22, 1.0], [12,
 17, 1.0], [12, 18, 2.0], [12, 22, 1.0], [13, 19, 1.0], [13, 20, 1.0], [13, 21, 2.0], [14, 16, 1.0], [14, 30, 1.0], [14, 31, 1.0], [15, 19, 1.0], [15, 32, 1.0], [15, 33, 1.0], [16, 19, 1.0], [16, 34, 1.0], [16, 35, 1.0], [17, 36
, 1.0], [17, 37, 1.0], [17, 38, 1.0], [20, 39, 1.0]], 'fix_com': True, 'fix_orientation': True, 'fix_symmetry': None, 'provenance': {'creator': 'QCElemental', 'version': 'v0.5.0', 'routine': 'qcelemental.molparse.from_schema'}, 
'id': '2847582', 'extras': None}, 'driver': 'hessian', 'model': {'method': 'b3lyp-d3bj', 'basis': 'dzvp'}, 'id': None, 'schema_name': 'qcschema_input', 'schema_version': 1, 'keywords': {'maxiter': 200, 'scf_properties': ['dipole
', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, 'extras': {'_qcfractal_tags': {'program': 'psi4', 'keywords': '2'}}, 'provenance': {'creator': 'QCElemental', 'version': 'v0.5.0', 'routine': 'qcelemental.models.resul
ts'}}, 'psi4'], 'kwargs': {'local_options': {'memory': 32.0, 'ncores': 16, 'scratch_directory': '/dev/shm', 'retries': 2}}}, 'parser': 'single', 'status': 'RUNNING', 'program': 'psi4', 'procedure': None, 'manager': 'OpenFF_Moble
y_HPC-gplogin2.gp.local-9a1f67ec-e1d2-40f6-88b4-50b87a37a760', 'priority': 0, 'tag': 'openff', 'base_result': {'ref': 'result', 'id': '4227774'}, 'error': None, 'modified_on': '2019-11-16T09:48:49.770283', 'created_on': '2019-08
-07T23:42:40.267434'

Additional context
Been running for ~24 hours, with 40 jobs completed no problem. This is the only job to do this. Using v0.12.0.

[dgasmith]

Thank you for the report. We recently reworked this and didn't anticipate a code execution path.

This is definitely a failed task so no real harm, but we did loose the real error message.