## #185 closed defect - convergence (fixed)

# high U sim fails badly in all versions, crashes through ionization front???

Reported by: | Gary J. Ferland | Owned by: | nobody |
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Priority: | critical | Milestone: | c13 release |

Component: | chemical network | Version: | trunk |

Keywords: | Cc: |

### Description

The attached sim fails with C08, C10, and newmole. The error on the trunk is

PROBLEM CO_solve neg pop for species 81 C2H, value is -1.33e-02 rel value is -1.88e-05 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM ConvFail 1, CO population not converged iteration 1 zone 1568 fnzone 1569.65 Ni ion 0.00026471 0.000286276 CO network negative population occurred, Te=1.1764e+01, calling ConvFail. CO/C= 5.7e-04 PROBLEM CO_solve neg pop for species 81 C2H, value is -1.02e-02 rel value is -1.44e-05 zone 1569.65 Te 1.1764e+01 Search?F CO network negative population occurred, Te=1.1764e+01, calling ConvFail. CO/C= 5.7e-04 PROBLEM ion_solver - neg net atomic abundance zero for nelem= 5, rel val= 2.69e-05 conv.nTotalIoniz=47762, fixed PROBLEM CO_solve neg pop for species 24 SO, value is -1.15e-03 rel value is -4.85e-05 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 66 NH2, value is -4.52e-02 rel value is -2.73e-04 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 79 HS, value is -6.02e-02 rel value is -2.55e-03 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 95 NH3, value is -4.64e-02 rel value is -2.80e-04 zone 1569.65 Te 1.1764e+01 Search?F CO network negative population occurred, Te=1.1764e+01, calling ConvFail. CO/C= 5.5e-04 PROBLEM CO_solve neg pop for species 81 C2H, value is -9.01e-02 rel value is -1.27e-04 zone 1569.65 Te 1.1764e+01 Search?F CO network negative population occurred, Te=1.1764e+01, calling ConvFail. CO/C= 5.6e-04 PROBLEM CO_solve neg pop for species 16 CS, value is -1.27e+00 rel value is -5.36e-02 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 19 CH2, value is -3.11e-02 rel value is -4.39e-05 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 44 CN, value is -5.60e-03 rel value is -3.38e-05 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 51 C3, value is -1.09e-02 rel value is -1.53e-05 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 57 HNC, value is -1.11e+00 rel value is -6.70e-03 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 62 CH3, value is -2.37e-02 rel value is -3.34e-05 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 71 CCl, value is -1.97e-05 rel value is -8.35e-05 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 73 C2, value is -1.18e-02 rel value is -1.66e-05 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 75 HCN, value is -1.81e-01 rel value is -1.10e-03 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 81 C2H, value is -2.00e-01 rel value is -2.83e-04 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 83 CH4, value is -1.46e-01 rel value is -2.05e-04 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 89 C, value is -3.21e-01 rel value is -4.53e-04 zone 1569.65 Te 1.1764e+01 Search?F CO network negative population occurred, Te=1.1764e+01, calling ConvFail. CO/C= 5.7e-04 PROBLEM CO_solve neg pop for species 81 C2H, value is -9.44e-02 rel value is -1.33e-04 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 83 CH4, value is -2.13e-02 rel value is -3.00e-05 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 89 C, value is -5.59e-02 rel value is -7.88e-05 zone 1569.65 Te 1.1764e+01 Search?F CO network negative population occurred, Te=1.1764e+01, calling ConvFail. CO/C= 5.7e-04 PROBLEM ion_solver - neg net atomic abundance zero for nelem= 5, rel val= 7.70e-04 conv.nTotalIoniz=47762, fixed PROBLEM CO_solve neg pop for species 24 SO, value is -8.67e-03 rel value is -3.67e-04 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 26 OCS, value is -5.47e-03 rel value is -2.31e-04 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 32 SiN, value is -2.55e-03 rel value is -2.70e-04 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 46 S, value is -5.76e+00 rel value is -2.44e-01 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 66 NH2, value is -4.61e-01 rel value is -2.79e-03 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 79 HS, value is -4.91e-01 rel value is -2.08e-02 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 87 NS, value is -5.83e-01 rel value is -2.47e-02 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 95 NH3, value is -1.74e+00 rel value is -1.05e-02 zone 1569.65 Te 1.1764e+01 Search?F CO network negative population occurred, Te=1.1764e+01, calling ConvFail. CO/C= 5.4e-04 PROBLEM CO_solve neg pop for species 81 C2H, value is -5.59e-02 rel value is -7.89e-05 zone 1569.65 Te 1.1764e+01 Search?F CO network negative population occurred, Te=1.1764e+01, calling ConvFail. CO/C= 5.6e-04 PROBLEM CO_solve neg pop for species 81 C2H, value is -8.92e-02 rel value is -1.26e-04 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 89 C, value is -1.64e-02 rel value is -2.31e-05 zone 1569.65 Te 1.1764e+01 Search?F CO network negative population occurred, Te=1.1764e+01, calling ConvFail. CO/C= 5.7e-04 PROBLEM CO_solve neg pop for species 24 SO, value is -1.24e-03 rel value is -5.25e-05 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 66 NH2, value is -4.96e-02 rel value is -3.00e-04 zone 1569.65 Te 1.1764e+01 Search?F PROBLEM CO_solve neg pop for species 95 NH3, value is -4.77e-01 rel value is -2.88e-03 zone 1569.65 Te 1.1764e+01 Search?F CO network negative population occurred, Te=1.1764e+01, calling ConvFail. CO/C= 5.6e-04 PROBLEM CO_solve neg pop for species 81 C2H, value is -4.48e-02 rel value is -6.32e-05 zone 1569.60 Te 1.1761e+01 Search?F CO network negative population occurred, Te=1.1761e+01, calling ConvFail. CO/C= 5.7e-04 PROBLEM CO_solve neg pop for species 16 CS, value is -2.31e+01 rel value is -9.79e-01 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 19 CH2, value is -8.05e-02 rel value is -1.13e-04 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 21 C3H, value is -1.03e-02 rel value is -1.45e-05 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 35 CH, value is -1.40e-02 rel value is -1.97e-05 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 44 CN, value is -1.49e-02 rel value is -9.00e-05 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 51 C3, value is -1.54e-02 rel value is -2.18e-05 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 57 HNC, value is -7.50e+00 rel value is -4.53e-02 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 62 CH3, value is -6.10e-02 rel value is -8.61e-05 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 71 CCl, value is -8.99e-05 rel value is -3.81e-04 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 73 C2, value is -1.25e-02 rel value is -1.77e-05 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 75 HCN, value is -2.38e+00 rel value is -1.44e-02 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 81 C2H, value is -2.67e-01 rel value is -3.77e-04 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 83 CH4, value is -6.15e-01 rel value is -8.67e-04 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 89 C, value is -1.37e+00 rel value is -1.93e-03 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 96 HCS+, value is -1.19e-03 rel value is -5.05e-05 zone 1569.60 Te 1.1761e+01 Search?F CO network negative population occurred, Te=1.1761e+01, calling ConvFail. CO/C= 6.0e-04 PROBLEM CO_solve neg pop for species 16 CS, value is -1.12e+01 rel value is -4.75e-01 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 21 C3H, value is -7.03e-02 rel value is -9.91e-05 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 51 C3, value is -9.16e-02 rel value is -1.29e-04 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 57 HNC, value is -2.37e+00 rel value is -1.43e-02 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 71 CCl, value is -1.68e-05 rel value is -7.13e-05 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 73 C2, value is -1.08e-02 rel value is -1.52e-05 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 75 HCN, value is -3.60e-02 rel value is -2.18e-04 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 81 C2H, value is -5.57e-01 rel value is -7.85e-04 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 83 CH4, value is -3.03e-01 rel value is -4.28e-04 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 89 C, value is -6.33e-01 rel value is -8.93e-04 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 96 HCS+, value is -4.23e-04 rel value is -1.79e-05 zone 1569.60 Te 1.1761e+01 Search?F CO network negative population occurred, Te=1.1761e+01, calling ConvFail. CO/C= 5.8e-04 PROBLEM CO_solve neg pop for species 24 SO, value is -8.03e-03 rel value is -3.40e-04 zone 1569.60 Te 1.1761e+01 Search?F PROBLEM CO_solve neg pop for species 26 OCS, value is -2.03e-03 rel value is -8.60e-05 zone 1569.60 Te 1.1761e+01 Search?F

This all ends with the following thrown assert

PROBLEM CO_solve neg pop for species 89 C, value is -5.24e+01 rel value is -7.39e-02 zone 1571.53 Te 1.1807e+01 Search?F PROBLEM CO_solve neg pop for species 96 HCS+, value is -5.16e-01 rel value is -2.18e-02 zone 1571.53 Te 1.1807e+01 Search?F CO network negative population occurred, Te=1.1807e+01, calling ConvFail. CO/C= 2.6e-03 PROBLEM DISASTER PressureTotal: the chemical species are not conserved. The sum of the densities of the atoms and ions for Sulphur is 1.615e+03 which is greater than the gas-phase abundance of the element, 2.366e+01. Something that cannot happen, has happened. This is TotalInsanity, I live in ../service.cpp.

Posted by user piano_1900 on the yahoo site. It takes ~5 min on my mac.

### Attachments (1)

### Change History (3)

### Changed 7 years ago by

### comment:1 Changed 6 years ago by

Resolution: | → fixed |
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Status: | new → closed |

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Works fine at r6340. Closing.