Mechanism file error

[tanzinaakther]

Hi, I was running the model fine. Now I wanted to add more mechanisms. So, I downloaded new mechanism file and I am getting this error. Any idea why I am getting this error?

[spco]

Reading your error message - please show us the contents of /home/takther/Model_03/AtChem2_Tanzina/model_rns/constratints/species/NC4H10 - if you're able to upload the file here that would be particularly helpful.

[rs028]

The first error is just a warning. It means that you have two species in your RO2 summation that are not actually peroxy radicals. This is an error of the MCM database. Manually delete IPRCHOO and IPRCHOOA from the RO2 summation in the .fac file and it will be okay.

[tanzinaakther]

Hi, I removed IPRCHOO and IPRCHOOA. Mechanism file is ok now but still got this error.

[tanzinaakther]

Reading your error message - please show us the contents of /home/takther/Model_03/AtChem2_Tanzina/model_rns/constratints/species/NC4H10 - if you're able to upload the file here that would be particularly helpful.

I removed NC4H10 as there were 0 values in the file.

[spco]

The latest error indicates that the linear interpolation of one of the constraints has failed. This is usually because the time interval over which the constraints is defined does not contain the time at which interpolation is taking place.

Please check that all of your constraints files define a value from 0 until the end of the time interval being calculated. It is worth defining the constraints until a little after the end of the time interval, because occasionally the algorithm overshoots the desired end time by a small amount.

If NC4H10 is meant to be constrained, then please ensure it does have a file associated to it, and it is present in speciesConstrained.config. If it's not meant to be constrained, then make sure it doesn't have a file and isn't present in speciesConstrained.config. If you only have one of those 2 conditions, then you will get such an error.

[rs028]

@spco, this should probably be addressed somehow at some point. It is perhaps part of issue #348 - I will add a note there.

[tanzinaakther]

I checked all the constrained species file. All has same time from -154800 to 363600.

NC4H10 isn't present in speciesConstrained.config Still have the same error.

[tanzinaakther]

I thought maybe this problem is related to new mechanism file I downloaded. But I am getting the same error using my previous mechanism file. I even deleted all the constrained species name from the species constrained.config file and only wrote one speicies to check if it runs. But the same error.

[rs028]

Can you run the tests?

[tanzinaakther]

which one you are referring as test? Today I only downloaded C3H8 mechanism and try to run but same problem.

[rs028]

You should be able to run make oldtests if the model is installed properly.

[tanzinaakther]

The model is installed properly because I ran it before, and I have the results. Now I wanted to run same sample with more mechanism added in the mechanism file. After downloading the new MCM file, i encountered this issue. But now when I run with my previous mechanism file, I am facing the same issue.

[rs028]

Try make clean and recompile the model and see if it solves the issue

[tanzinaakther]

Sure. Thank you

[rs028]

@tanzinaakther Did you manage to resolve this problem?