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Sundials CI failure for python:test_kinetics.KineticsRepeatability.test_pdep_err #944

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ischoegl opened this issue Nov 1, 2020 · 0 comments · Fixed by #946
Closed

Sundials CI failure for python:test_kinetics.KineticsRepeatability.test_pdep_err #944

ischoegl opened this issue Nov 1, 2020 · 0 comments · Fixed by #946

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@ischoegl
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ischoegl commented Nov 1, 2020

Problem description

CI test for python:test_kinetics.KineticsRepeatability.test_pdep_err fails for Sundials runners. All other tests are successful.

Issue was observed while testing #943 - which presumably does not affect Kinetics.

Steps to reproduce

Presumably any newly created PR will trigger this issue.

Behavior

======================================================================
FAIL: test_pdep_err (cantera.test.test_kinetics.KineticsRepeatability)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/runner/work/cantera/cantera/build/python/cantera/test/test_kinetics.py", line 419, in test_pdep_err
    ct.Solution('addReactions_err_test.yaml')
cantera._cantera.CanteraError: 
***********************************************************************
CanteraError thrown by addReactions:

***********************************************************************
CanteraError thrown by Plog::validate:

Invalid rate coefficient for reaction 'CH2CHOO <=> CH3O + CO'
at P = 32019, T = 500

Invalid rate coefficient for reaction 'CH2CHOO <=> CH3O + CO'
at P = 32019, T = 1000

Invalid rate coefficient for reaction 'CH2CHOO <=> CH3O + CO'
at P = 1.0132e+05, T = 500

Invalid rate coefficient for reaction 'CH2CHOO <=> CH3O + CO'
at P = 1.0132e+05, T = 1000
***********************************************************************

***********************************************************************
CanteraError thrown by Plog::validate:

Invalid rate coefficient for reaction 'CH2CHOO <=> CH3 + CO2'
at P = 1.0132e+07, T = 500
***********************************************************************

***********************************************************************
InputFileError thrown by Kinetics::checkReactionBalance:
Error on line 126 of /home/runner/work/cantera/cantera/build/python/cantera/test/data/addReactions_err_test.yaml:
The following reaction is unbalanced: H2O2 + OH <=> 2 H2O + HO2
  Element    Reactants    Products
  H           3           5
  O           3           4

|  Line |
|   121 | - equation: CH2CHOO <=> CO2 + CH3  # Reaction 2
|   122 |   type: pressure-dependent-Arrhenius
|   123 |   rate-constants:
|   124 |   - {P: 100.0 atm, A: -2510.0, b: 1.41, Ea: 1.442e+04}
|   125 |   - {P: 100.0 atm, A: 4.05e-09, b: 5.14, Ea: 1.048e+04}
>   126 > - equation: H2O2 + OH <=> 2 H2O + HO2  # Reaction 3
            ^
|   127 |   rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1800.0}
***********************************************************************
***********************************************************************


During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "/home/runner/work/cantera/cantera/build/python/cantera/test/test_kinetics.py", line 424, in test_pdep_err
    self.assertIn(msg, err_msg_list)
AssertionError: 'at P = 32019, T = 500.0' not found in ['', '***********************************************************************', 'CanteraError thrown by addReactions:', '', '***********************************************************************', 'CanteraError thrown by Plog::validate:', '', "Invalid rate coefficient for reaction 'CH2CHOO <=> CH3O + CO'", 'at P = 32019, T = 500', '', "Invalid rate coefficient for reaction 'CH2CHOO <=> CH3O + CO'", 'at P = 32019, T = 1000', '', "Invalid rate coefficient for reaction 'CH2CHOO <=> CH3O + CO'", 'at P = 1.0132e+05, T = 500', '', "Invalid rate coefficient for reaction 'CH2CHOO <=> CH3O + CO'", 'at P = 1.0132e+05, T = 1000', '***********************************************************************', '', '***********************************************************************', 'CanteraError thrown by Plog::validate:', '', "Invalid rate coefficient for reaction 'CH2CHOO <=> CH3 + CO2'", 'at P = 1.0132e+07, T = 500', '***********************************************************************', '', '***********************************************************************', 'InputFileError thrown by Kinetics::checkReactionBalance:', 'Error on line 126 of /home/runner/work/cantera/cantera/build/python/cantera/test/data/addReactions_err_test.yaml:', 'The following reaction is unbalanced: H2O2 + OH <=> 2 H2O + HO2', '  Element    Reactants    Products', '  H           3           5', '  O           3           4', '', '|  Line |', '|   121 | - equation: CH2CHOO <=> CO2 + CH3  # Reaction 2', '|   122 |   type: pressure-dependent-Arrhenius', '|   123 |   rate-constants:', '|   124 |   - {P: 100.0 atm, A: -2510.0, b: 1.41, Ea: 1.442e+04}', '|   125 |   - {P: 100.0 atm, A: 4.05e-09, b: 5.14, Ea: 1.048e+04}', '>   126 > - equation: H2O2 + OH <=> 2 H2O + HO2  # Reaction 3', '            ^', '|   127 |   rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1800.0}', '***********************************************************************', '***********************************************************************']

----------------------------------------------------------------------

System information

  • Cantera version: 2.5.0b1 main
  • OS: Sundials CI runner
  • Python/MATLAB/other software versions: N/A
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