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Can you provide a copy of the input file you're using?
Original comment by yarmond
on 9 Aug 2012 at 8:07
The crash happens when the pressure becomes negative. The argument to update_C
is the log of the pressure, which is NaN, so it can't find an appropriate pair
of pressures to interpolate between.
Original comment by yarmond
on 10 Aug 2012 at 2:52
There are several changes to how errors are handled when using the CVODES
integrator in r1778, r1779, r1780, and r1781 which help here.
Now trying to integrate this system leads to a different error message:
************************************************
Cantera Error!
************************************************
Procedure: CVodesIntegrator
Error: CVodes error encountered. Error code: -3
Components with largest weighted error estimates:
44: 224.665
18: -106.067
42: -45.4502
14: -9.20911
23: -1.66335
13: 1.38928
24: -0.456371
85: 0.423612
86: 0.421887
39: 0.415644
Which suggests an issue with species 42, 16, and 40 (zero indexed; the first
two components of the CVODES solution vector are the internal energy and volume
of the reactor).
Looking at your mechanism file, I think the rate expressions for Reactions #344
and #345 are suspicious. Commenting them out allows the simulation to run
without errors.
Original comment by yarmond
on 12 Aug 2012 at 12:09
Thanks. Those two "suspicious" rates come directly from the Glarborg group's
master mechanism
http://dx.doi.org/10.1016/j.proci.2008.06.188
CH2CHOO=C2H2+HO2 9.6E48 -8.868 110591 ! JIM/GLA08 ING/BOZ03 100 atm
CH2CHOO=CH2O+HCO 3.1E47 -8.701 111046 ! JIM/GLA08 ING/BOZ03 100 atm
So they presumably can't *always* be problematic...
We'll keep investigating.
Original comment by r.h.w...@gmail.com
on 14 Aug 2012 at 7:23
Original issue reported on code.google.com by
r.h.w...@gmail.com
on 9 Aug 2012 at 3:25Attachments: