Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Add MO2 + NO3 = NO2 + CH2O + HO2 reaction via KPP #1444

Merged
merged 1 commit into from
Nov 3, 2022

Conversation

yantosca
Copy link
Contributor

This is the corresponding PR for #1235.

  • Added the MO2 + NO3 = NO2 + CH2O + HO2 reaction to KPP/custom/custom.eqn and KPP/fullchem/fullchem.eqn.
  • We have rebuilt the KPP/fullchem/gckpp_* files with KPP 2.5.0.

NOTE: We plan on updating all of the mechanisms to KPP 3.0.0 before the release of GEOS-Chem 14.1.0.

This commit adds the reaction requested in geoschem/geos-chem #1235

KPP/custom/custom.eqn
KPP/fullchem/fullchem.eqn
- Added MO2 + NO3 = NO2 + CH2O + HO2 with constant rxn rate of 1.0d-12

KPP/fullchem/*.map
KPP/fullchem/gckpp*.F90
- Rebuilt with KPP 2.5.0

NOTE: We will bring this update in with KPP 2.5.0 and then rebuild the
mechanism with KPP 3.0.0 before releasing GEOS-Chem 14.1.0.

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
@yantosca
Copy link
Contributor Author

Integration tests are running

@yantosca yantosca requested a review from msulprizio October 18, 2022 19:28
@yantosca yantosca self-assigned this Oct 18, 2022
@yantosca yantosca added category: Feature Request New feature or request topic: Chemical Mechanisms Related to KPP and/or GEOS-Chem chemistry mechanisms GC-WG: Chemistry labels Oct 18, 2022
@yantosca yantosca added this to the 14.1.0 milestone Oct 18, 2022
@yantosca
Copy link
Contributor Author

GCHP integration tests all passed

==============================================================================
GCHP: Execution Test Results

Number of execution tests: 3
==============================================================================
 
Execution tests:
------------------------------------------------------------------------------
gchp_fullchem_benchmark_merra2_c48...............Execute Simulation.....PASS
gchp_fullchem_standard_merra2_c24................Execute Simulation.....PASS
gchp_TransportTracers_geosfp_c24.................Execute Simulation.....PASS
 
Summary of execution test results:
------------------------------------------------------------------------------
Execution tests passed:        3
Execution tests failed:        0
Execution tests not completed: 0

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%  All execution tests passed!  %%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

@yantosca yantosca linked an issue Oct 18, 2022 that may be closed by this pull request
@yantosca
Copy link
Contributor Author

Most GEOS-Chem Classic integration tests passed but some did not finish due to the job timing out on our cluster.

==============================================================================
GEOS-Chem Classic: Execution Test Results

Using 24 OpenMP threads
Number of execution tests: 48
==============================================================================
 
Execution tests:
------------------------------------------------------------------------------
gc_025x03125_CH4_geosfp_47L_na...................Execute Simulation.....PASS
gc_025x03125_fullchem_geosfp_47L_na..............Execute Simulation.....PASS
gc_05x0625_CH4_merra2_47L_na.....................Execute Simulation.....PASS
gc_05x0625_fullchem_merra2_47L_na................Execute Simulation.....PASS
gc_2x25_aerosol_merra2...........................Execute Simulation.....PASS
gc_2x25_CH4_merra2...............................Execute Simulation.....PASS
gc_2x25_CO2_merra2...............................Execute Simulation.....PASS
gc_2x25_fullchem_merra2..........................Execute Simulation.....PASS
gc_2x25_Hg_merra2................................Execute Simulation.....PASS
gc_2x25_metals_merra2............................Execute Simulation.....PASS
gc_2x25_POPs_BaP_merra2..........................Execute Simulation.....PASS
gc_2x25_tagCH4_merra2............................Execute Simulation.....PASS
gc_2x25_tagCO_merra2.............................Execute Simulation.....PASS
gc_2x25_tagO3_merra2.............................Execute Simulation.....PASS
gc_2x25_TransportTracers_merra2..................Execute Simulation.....PASS
gc_2x25_TransportTracers_merra2_LuoWd............Execute Simulation.....PASS
gc_4x5_aerosol_geosfp............................Execute Simulation.....PASS
gc_4x5_aerosol_merra2............................Execute Simulation.....PASS
gc_4x5_CH4_geosfp................................Execute Simulation.....PASS
gc_4x5_CH4_merra2................................Execute Simulation.....PASS
gc_4x5_fullchem_aciduptake_merra2................Execute Simulation.....PASS
gc_4x5_fullchem_APM_merra2.......................Execute Simulation.....PASS
gc_4x5_fullchem_benchmark_merra2.................Execute Simulation.....PASS
gc_4x5_fullchem_complexSOA_merra2................Execute Simulation.....PASS
gc_4x5_fullchem_complexSOA_SVPOA_merra2..........Execute Simulation.....PASS
gc_4x5_fullchem_geosfp...........................Execute Simulation.....PASS
gc_4x5_fullchem_marinePOA_merra2.................Execute Simulation.....PASS
gc_4x5_fullchem_merra2...........................Execute Simulation.....PASS
gc_4x5_fullchem_merra2_47L.......................Execute Simulation.....PASS
gc_4x5_fullchem_merra2_LuoWd.....................Execute Simulation.....PASS
gc_4x5_fullchem_RRTMG_merra2.....................Execute Simulation.....PASS
gc_4x5_fullchem_TOMAS15_merra2_47L...............Execute Simulation.....PASS
gc_4x5_fullchem_TOMAS40_merra2_47L...............Execute Simulation.....PASS
gc_4x5_Hg_geosfp.................................Execute Simulation.....PASS
gc_4x5_Hg_merra2.................................Execute Simulation.....PASS
gc_4x5_metals_merra2.............................Execute Simulation.....PASS
gc_4x5_POPs_BaP_geosfp...........................Execute Simulation.....PASS
gc_4x5_POPs_BaP_merra2...........................Execute Simulation.....PASS
gc_4x5_tagCH4_geosfp.............................Execute Simulation.....PASS
gc_4x5_tagCH4_merra2.............................Execute Simulation.....PASS
gc_4x5_tagCO_geosfp..............................Execute Simulation.....PASS
gc_4x5_tagCO_merra2..............................Execute Simulation.....PASS

yantosca added a commit that referenced this pull request Oct 19, 2022
KPP/custom/custom.eqn
KPP/fullchem/fullchem.eqn
- Apply the bug fix provided by @khbates in geoschem/geos-chem #1274,
  namely to change the Arrhenius A coefficient of the ETO = HO2 + CH2O
  rxn from 9.5d-13 to 9.5d+13

KPP/fullchem/gckpp_Rates.F90
- Rebuilt with KPP 2.5.0

NOTES:
(1) This commit builds on top of geoschem/geos-chem PR #1444, and
    thus must be merged on top of PR #1444.
(2) For now we have rebuilt the fullchem mechanism with KPP 2.5.0,
    but we will rebuild all KPP mechanisms prior to the 14.1.0 release.

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
@msulprizio msulprizio merged commit 435e463 into dev/14.1.0 Nov 3, 2022
@msulprizio msulprizio deleted the feature/add-mo2+no3 branch November 3, 2022 13:19
@msulprizio
Copy link
Contributor

1-month benchmark output documenting the impact of this fix can be found at:

https://gc-dashboard.org/difference?primary_key=diff-gcc-4x5-1Mon-14.1.0-alpha.0-gcc-4x5-1Mon-14.1.0-alpha.1

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
category: Feature Request New feature or request topic: Chemical Mechanisms Related to KPP and/or GEOS-Chem chemistry mechanisms
Projects
None yet
Development

Successfully merging this pull request may close these issues.

[FEATURE REQUEST] add MO2 + NO3 reaction
2 participants