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Add MO2 + NO3 = NO2 + CH2O + HO2 reaction via KPP #1444
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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>
Integration tests are running |
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
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! %%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% |
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
approved these changes
Oct 20, 2022
1-month benchmark output documenting the impact of this fix can be found at: |
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category: Feature Request
New feature or request
topic: Chemical Mechanisms
Related to KPP and/or GEOS-Chem chemistry mechanisms
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This is the corresponding PR for #1235.
KPP/custom/custom.eqn
andKPP/fullchem/fullchem.eqn
.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.