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geoschem / geos-chem

GEOS-Chem "Science Codebase" repository. Contains GEOS-Chem science routines, run directory generation scripts, and interface code. This repository is used as a submodule within the GCClassic and GCHP wrappers, as well as in other modeling contexts (external ESMs).
http://geos-chem.org
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Form of heterogeneous function unstable for large reaction rates #1205

Closed sdeastham closed 2 years ago

sdeastham commented 2 years ago

The CloudHet calculation of heterogeneous reaction rates in the following fails for very large values of kk:

https://github.com/geoschem/geos-chem/blob/9ab6931db5b556eafd0e002e9fd4fdbcbd5fbb44/KPP/fullchem/rateLawUtilFuncs.F90#L263

This is referenced in detail in an issue which is currently filed under GCHP: https://github.com/geoschem/GCHP/issues/211. However, the necessary fix would need to take place in the GEOS-Chem code. My suggestion is that xx be forced to be greater than or equal to zero.

yantosca commented 2 years ago

Thanks for writing @sdeastham. We can try to get this into either 13.4.0 or 14.0.0, depending on where the benchmarking status is. Also tagging @msulprizio.

msulprizio commented 2 years ago

This will need to go into 14.0.0. Benchmarks for 13.4.0 are complete and will be sent out for approval soon.

yantosca commented 2 years ago

Thanks @msulprizio, I'll prepare a PR for 14.0.0.

yantosca commented 2 years ago

This has now been merged into the 13.4.0 development stream, so we can close this issue.