[BUG/ISSUE] Some State_Chm fields erroneously include non-advected species

[lizziel]

This issue is an extension of https://github.com/geoschem/geos-chem/issues/1095 ("State_Chm%nDryDep includes non-advected species"). Certain State_Chm fields are set from species database values. Those values are set in a loop over all species, including both advected and KPP species. Setting some of the values should be limited to advected species but code to do that is missing.

A fix for State_Chm%nDryDep is in PR https://github.com/geoschem/geos-chem/pull/1088. We need to determine what other fields need modification as well. We can lump all of the assignments for advected species only together to reduce computation.

Here is a list of all counters set in Init_SpeciesDatabase:

    nAdvect
    nAeroSpc
    nDryAlt
    nDryDep
    nGasSpc
    nHygGrth
    nKppVar
    nKppFix
    nKppSpc
    nOmitted
    nPhotol
    nRadNucl
    nRealSpc
    nWetDep
    nHg0
    nHg2
    nHgP

Here is a list of all logicals:

    Is_Aerosol
    Is_DryAlt
    Is_DryDep
    Is_HygroGrowth
    Is_Gas
    Is_Hg0
    Is_Hg2
    Is_HgP
    Is_Photolysis
    Is_RadioNuclide
    Is_WetDep

I believe the following should be limited to advected species only:

• Dry deposition: nDryAlt, nDryDep, Is_DryAlt, Is_DryDep
• Wet deposition: nWetDep, Is_WetDep

Are there any others? Please comment on this issue if you think there are.

[yantosca]

FYI: We can probably also remove the Is_Hg0, Is_Hg2, Is_HgP tags because these were used to set up a hoky way of figuring out which species were Hg0, Hg2, HgP for the tagged Hg simulation. Hg2 and HgP are now included as different species in the new KPP mechanism and the tagged Hg mechanism has been removed. I can look into that.

[yantosca]

I think we should also not define the DD_ and WD_ fields for species that are not advected. So these fields should only be defined for advected species and skipped otherwise:

• DD_AeroDryDep
• DD_DustDryDep
• DD_DvzAerSnow
• DD_DvzAerSnow_Luo
• DD_DvzMinVal
• DD_DvzMinVal_Luo
• DD_F0
• DD_Hstar
• DD_KOA
• WD_AerScavEff
• WD_CoarseAer
• WD_ConvFacI2G
• WD_ConvFacI2G_Luo
• WD_KcScaleFac
• WD_KcScaleFac_Luo
• WD_Is_H2SO4
• WD_Is_HNO3
• WD_Is_SO2
• WD_LiqAndGas
• WD_LiqAndGas_Luo
• WD_RainoutEff
• WD_RainoutEff_Luo
• WD_RetFactor
• WD_RetFactor_Luo

[yantosca]

Is_Photolysis can be left as-is. In the Hg simulation with KPP (going into 13.4.0) there are some fields that are photolyzed but that are not advected.

[stale[bot]]

This issue has been automatically marked as stale because it has not had recent activity. If there are no updates within 7 days it will be closed. You can add the "never stale" tag to prevent the Stale bot from closing this issue.

[stale[bot]]

Closing due to inactivity

[lizziel]

@yantosca, is this all set?

[yantosca]

@lizziel, I haven't made any of these modifications yet. Got sidetracked by other stuff.

[lizziel]

No problem. I added the never stale label so it doesn't get closed again.

[lizziel]

@yantosca, should this be moved to a later version than 14.0?

[msulprizio]

@yantosca, should this be moved to a later version than 14.0?

I'm thinking since we don't have an active PR for this that we won't have time to include this in 14.0.0 (wrapping up next week). I'm therefore going to change the milestone to 14.1.0.