multiple evaluation of kinetic mechanisms with a single script

[tullio viola]

Hi all,

how can I run my STR script evaluating multiple kinetic mechanisms?

At this moment I use a script of a single STR for single evaluation of residence time and equivalence ratio....so I want to simplify that evaluating multiple kinetic mechanism, residence times and equivalence ratios.

Thank you for suggestions

Tullio Viola

[Ingmar Schoegl]

Hi Tullio,

I recently wrote a wrapper for Cantera batch jobs that should be able to handle this: https://github.com/microcombustion/ctwrap

The motivation for this was both teaching and research; at the moment it mostly contains 'stock' examples. It is, however, meant to run user-defined scripts: you mostly need to (a) modify your script so it contains callable functions, and (b) write up your batch cases in form of a YAML file (sphinx docs are available). The batch simulation will dispatch individual jobs to multiple CPU's; we've tested it to the best of our abilities with the pre-release version of Cantera 2.5 and it should be ready to go. Unfortunately the course that I intended for an initial trial was canceled, so there may be the occasional glitch.

-ingmar-

[tullio viola]

Dear Ingmar,

first of all thank you for the answer...but unfortunately your examples are in yaml and I'm using Python..so for me it's difficult.

Thank you the same :)

Tullio

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[Ingmar Schoegl]

Ciao Tullio,

YAML is just used to specify the input parameters as an input file - the code itself runs in Python, so it may work after all.

-ingmar-

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[tullio viola]

Dear Ingmar, I apologize but I was in a hurry and I read wrong. I will definitely try the material you suggested . Thank you again

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