gmagoon

OK thanks...I'm still trying to figure out why it doesn't seem to print any of the info from my debugging lines.

@rajeshdparmar, could you pull in the latest changes in d9b5466ef761fb13778509b087fac73b1d68476b and retry? I've added some additional debugging lines in addition to flushing the logger...an unflushed logger is the only thing...

Thanks @rwest. @rajeshdparmar, try d2fe67c037ea147c97935a9eb8bb265e030bc479 instead .

n.b....I have Chebyshevs and PLOGs in pdepreactions.txt of SeedMechanism, ReactionLibrary, and KineticsLibrary

This occurs a couple minutes into a PDep RMG run.

For anyone interested, I'm working with this condition file: Database: RMG_database MaxCarbonNumberPerSpecies: 10 MaxOxygenNumberPerSpecies: 2 MaxRadicalNumberPerSpecies: 2 //MaxSulfurNumberPerSpecies: //MaxSiliconNumberPerSpecies: //MaxHeavyAtomPerSpecies: PrimaryThermoLibrary: Name: GRIMech3.0 Location: GRI-Mech3.0 Name: RMG-minimal Location: primaryThermoLibrary Name:...

Not sure if this is related (maybe it should be a separate issue?) but when I run a NON-Pdep job, it crashes with the following at the first ODE solve,...

Per discussion with rwest, it sounds like this issue may be related to the aforementioned use of PLOG/Chebyshev in the ReactionLibrary and KineticsLibrary, which is likely not supported

I forgot about this bug and retried again with PLOG in ReactionLibrary...received the following error: Reaction Set Found from Reaction Library [H2CCCH(53) --> H(41) + C3H2(61), H2CCCH(53) + H2CCCH(53) (included...

My recollection from my earlier review of the literature is that it had been found that 1,2-biradical thermochemistry is adequately taken into account by group additivity, though I haven't investigated...