GEOS-Chem 14.1.0: Difference between revisions

Latest revision as of 20:48, 14 May 2024

Version overview

This version is currently in development

Release date: 01 Feb 2023
DOI for GC Classic 14.1.0: 10.5281/zenodo.7600579
DOI for GCHP 14.1.0: 10.5281/zenodo.7600586
DOI for GEOS-Chem 14.1.0: 10.5281/zenodo.7600404 (science code)
DOI for HEMCO 3.6.0: 10.5281/zenodo.7600424

The following items have been added to GEOS-Chem 14.1.0. Also see the following Github pages:

Feature	Contributor(s)	Model scope	Notes and references
Updates that will affect full-chemistry benchmark simulations
Adaptive chemical solver (as option) / KPP 3.0.0	Mike Long (Harvard) Haipeng Lin (Harvard) Bob Yantosca (GCST) Lu Shen (PKU)	Chemistry	See H. Lin et al. [2022] (DOI: 10.31223/X5505V) KPP 3.0.0 is now released
Add MO2 + NO3 reaction	Kelvin Bates (Harvard)	Chemistry	geoschem/geos-chem PR #1444 geoschem/geos-chem #1235
Revision to a rate constant for the C2H4 scheme	Kelvin Bates (Harvard)	Chemistry	geoschem/geos-chem PR #1447 geoschem/geos-chem #1274
Fix product in HOBr/Cl + S(IV) reactions	Xuan Wang (CUHK)	Chemistry	geoschem/geos-chem PR #1448 geoschem/geos-chem #1298
Fix molecular weight of CH4	Xueying Yu (UMN)	Chemistry	geoschem/geos-chem PR #1445 geoschem/geos-chem #1312
Bug fix in computing IsLand, IsWater, IsOcean, IsIce	Lizzie Lundgren (Harvard)	Chemistry	geoschem/geos-chem PR #1425
Bug fix: Treat SO4s and NITs as coarse aerosol in wet scavenging	Mike Long (GMAO) Christoph Keller (GMAO) Becky Alexander (UW)	Wetdep	geoschem/geos-chem PR #1426 geoschem/geos-chem #1414
Fix double-titration of seasalt alkalinity	Becky Alexander (UW) Hansen Cao (UW) Mike Long (GMAO) Mat Evans (York)	Fullchem simulations	geoschem/geos-chem PR #1521
Retire land-water-ice (LWI) input field	Lizzie Lundgren (Harvard)	Met fields	geoschem/geos-chem PR #1435 geoschem/hemco PR #170
Updates that will NOT affect full-chemistry benchmark simulations
HTAPv3 at 0.1 deg	Dandan Zhang (WashU)	Emissions	geoschem/geos-chem #1301
Improvements in modelled Hg0 dry deposition to land	Ari Feinberg (MIT) Noelle Selin (MIT) Thandolwethu Dlamini (MIT) Martin Jiskra (UBasel) Viral Shah (Harvard)	Hg simulation	geoschem/geos-chem PR #1367
AMAP 2015 emissions from GMA2018	Helene Angot(MIT) Ari Feinberg (MIT) Noelle Selin (MIT)	Hg simulation	geoschem/geos-chem PR #1367
Add carbon simulation (CO2-CO-CH4-OCS) via KPP	Beata Bukosa (NIWA) Kevin Bowman (JPL) Mike Long (Harvard)	Specialty simulation	Still in validation geoschem/geos-chem #654
Add gfortran compiler switches to turn on code sanitization, which checks for memory leaks	Bob Yantosca (Harvard)	Structural	github.com/GCClassic PR #24
Add capability to write metadata for defined species to a YAML file	Bob Yantosca (Harvard)	Structural	geoschem/geos-chem PR #1316
Output satellite diagnostics as NetCDF	Joshua Shutter (UMN) Eloise Marais (UCL) Bob Yantosca (Harvard)	Diagnostics	geoschem/geos-chem PR #1478
Add new species concentration diagnostic in units of molec/cm3	Haipeng Lin (Harvard)	Diagnostics	geoschem/geos-chem PR #1264
RO2 diagnostic	Melissa Sulprizio (Harvard)	Diagnostics	geoschem/geos-chem PR #1334
Change time-averaged diagnostic timestamps from mid-point to start time	Bob Yantosca (Harvard)	Diagnostic	geoschem/geos-chem PR #1600
Fix timecycle flag for QFED and OFFLINE emissions in HEMCO_Config.rc	Charley Fite (FSU)	Emissions	geoschem/geos-chem PR #1595
Structural updates to facilitate coupling GEOS-Chem to CESM: Move in-module variables in global_ch4_mod.F90 to State_Chm Remove SZAFACT, JNO2, JOH module variables from hco_interface_gc_mod.F90 Add DimMax property to ModelSpc for HEMCO-CESM interface	Haipeng Lin (Harvard)	CESM-GC Structural	geoschem/geos-chem PR #1407 geoschem/geos-chem PR #1348 geoschem/HEMCO PR #186
Fix complex SOA definition in error check	Haipeng Lin (Harvard)	ComplexSOA	geoschem/geos-chem PR #1546
Updates that will only affect GCHP
Update MAPL from v2.18.3 to v2.26.0	Lizzie Lundgren (Harvard)	GCHP GMAO libraries	geoschem/MAPL PR #23 geoschem/geos-chem PR #1489
Fix missing value handling in HEMCO for GCHP and GEOS	Lizzie Lundgren (Harvard)	HEMCO	geoschem/gchp #258 geoschem/MAPL PR #21 geoschem/HEMCO PR #171
Improve MAPL error handling of corrupted input files	Lizzie Lundgren (Harvard)	MAPL	geoschem/MAPL PR #24
Fix bug where GCHP fraction snow is all zeroes	Lizzie Lundgren (Harvard)	Met fields	geoschem/geos-chem PR #1577
Tagged O3 simulation in GCHP	Xingpei Yu (PKU) Jourdan He (WashU)	TagO3 simulation	geoschem/geos-chem PR #1167
GCHP diagnostic bug fixes: Add missing J-value diagnostics to GCHP HISTORY.rc Fix bug in GCHP HISTORY.rc names for HCFCs	Melissa Sulprizio (Harvard) Lizzie Lundgren (Harvard)	Diagnostics	geoschem/geos-chem PR #1582 geoschem/geos-chem PR #1590
Add GCHP upward mass flux diagnostic to HISTORY.rc	Lizzie Lundgren (Harvard)	Diagnostics	geoschem/geos-chem PR #1584
Add GCHP operational example run scripts (MIT, York, NCI)	Sebastian Eastham (MIT) Killian Murphy (York) Jenny Fisher (U. Wollongong)	Run directory	geoschem/geos-chem PR #1571 geoschem/geos-chem PR #1570 geoschem/geos-chem PR #1615

New data directories

The following data directories have been added or updated in this version. You will have to download the directories relevant to your simulation.

Inventory	Simulations	What was added?	Directory
HTAPv3	Fullchem (as option)	HTAPv3 anthropogenic emissions for 2000-2018	`ExtData/HEMCO/HTAPv3/v2022-12/`
Updated CH4 files (Fixes netCDF file issues)	CH4 carboncycle	CH4loss from GMI (netCDF longitudes fixed) EDGARv6 emissions (netCDF timestamps fixed) GEPA emissions (netCDF files edited for COARDS compliance) Lakes emissions (netCDF files edited for COARDS compliance) Scarpelli_Mexico emissions (netCDF files edited for COARDS compliance)	`ExtData/HEMCO/CH4/v2022-11/`
Updated CO2 files (Fixes netCDF file issues)	CO2 carboncycle	FOSSIL (netCDF longitudes fixed) OCEAN (netCDF longitudes fixed)	`ExtData/HEMCO/CO2/v2022-11/`
2018 AMAP/UNEP Global Mercury Assessment Emissions	Hg	Emissions of Hg0, Hg2, HgP (base year 2015) are provided for the following sectors Artisanal/small scale gold mining, Power generation Industry Other intentional uses.	`ExtData/HEMCO/MERCURY/v2022-10/`
OCS_FLUX	carboncycle	OCS surface fluxes from model simulations by JPL (provided by Kevin Bowman)	`ExtData/HEMCO/OCS_FLUX/v2022-11`

1-month full-chemistry benchmarks

1-month benchmark setup

The following table describes the GEOS-Chem setup for both GEOS-Chem Classic and GCHP 1-month benchmark simulations.

Git tag(s):	GEOS-Chem Classic: 14.1.0-rc.0 (aka 14.1.0-alpha.13) GCHP: 14.1.0-rc.0 (aka 14.1.0-alpha.13) HEMCO: 3.6.0-rc.0
Compared to previous benchmark:	14.0.2
Software environment:	gcc 10.2.0 OpenMPI 4.1.0 netcdf-fortran 4.5.3 CMake 3.17.3 ESMF 8.0.1
Model resolution:	GEOS-Chem Classic: 4° x 5° GCHP: c24
Meteorology fields:	MERRA-2 GEOS-Chem Classic: 4° x 5° GCHP: 0.5° x 0.625°
Initial conditions:	July 1, 2019 NOTE: GCHP c24 restart file regridded from GEOS-Chem Classic 4° x 5°
Benchmark month:	July 2019
Chemistry setup:	See fullchem.eqn
This version will impact: (select all that apply with boldface)	Emissions Photolysis Chemistry Dry Deposition Wet Deposition Advection BL Mixing Convection Meteorology Fields Other (please specify):

1-month internal benchmarks

Each update that will introduce a significant change in the full-chemistry simulation is tagged with an alpha version in Git. For each of these alpha versions, the GCST runs an internal 1-month benchmark simulation to isolate the impact from that update.

For more details on the update(s) included in each alpha version and a link to benchmark results, see this Google sheet.

1-month benchmark assessment form

Performance	GEOS-Chem Classic	GCHP
Grid resolution:	4° x 5°	C24
# CPUs, nodes:	62 CPUs 1 node (AWS)	62 CPUs 1 nodes (AWS)
Wall time:	06:49:15	07:17:26
Memory	12.3 GB	40.0 GB
Global mean OH: (% change from previous version)	12.43694048476 x 10⁵ molec/cm3 (+0.36%)	12.42734941258 x 10⁵ molec/cm3 (+0.39%)
Methyl chloroform lifetime: (% change from previous version)	4.967487 years (-0.58%)	4.954014 years (-0.56%)
Methane lifetime: (% change from previous version)	8.371064 years (-0.60)	8.345184 years (-0.57%)
Details
Species, J-Values, and COLUMN AOD values that changed by 10% or more at the surface:	GEOS-Chem Classic 14.1.0 vs 14.0.2	GCHP 14.1.0 vs 14.0.2
Species and J-Values that changed by 10% or more at 500 hPa:	GEOS-Chem Classic 14.1.0 vs 14.0.2	GCHP 14.1.0 vs 14.0.2
Species and J-Values that changed by 10% or more in zonal mean:	GEOS-Chem Classic 14.1.0 vs 14.0.2	GCHP 14.1.0 vs 14.0.2
Emissions that changed by 10% or more:	GEOS-Chem Classic 14.1.0 vs 14.0.2	GCHP 14.1.0 vs 14.0.2
Overview
Below we summarize the notable changes caused by specific updates. See also the internal benchmark results which isolate impacts from specific updates. 1. Add MO2 + NO3 reaction Global mean OH changed by 0.4%; MO2 and NO3 concentrations decrease and NO2, CH2O, and HO2 concentrations increase as expected. See plots and tables documenting the changes from this update here. 2. Revision to a rate constant for the C2H4 scheme Global mean OH changed by -0.02%. Most species show <1% change in global mass. There are larger changes in ETO, ETP, GLYC, GLYX, HCOOH, and SOAGX as may be expected by changing the ETO reaction rate. See plots and tables documenting the changes from this update here. 3. Fix product in HOBr/Cl + S(IV) reactions Differences from this fix are very small. Global mean OH changed by -0.0008%. Differences in all species are < 1% except for SO4s which decreased by -99.984% (as expected because we're removing its production by HOBr and HOCl). See plots and tables documenting the changes from this update here. 4. Fix molecular weight of CH4 This fix introduces very small differences due to changing CH4 molecular weight. Global mean OH changes by 0.0007%. Changes in global mass for all species is << 1%. See plots and tables documenting the changes from this update here. 5. Bug fix: Treat SO4s and NITs as coarse aerosol in wet scavenging This fix produces large changes in SO4s, NITs as expected . NITs changed by -26.12% and SO4s changed by -57.31%. All other species changed by <1% exept for ClNO2 (+2.3%). Global mean OH changed by -0.013%. See plots and tables documenting the changes from this update here. 6. Bug fix for determining predominant land type per grid cell This fix produces small differences as expected. Global mean OH changed by -0.00028% and all other species concentrations changed by << 1%. The differences are mainly at high latitudes. See plots and tables documenting the changes from this update here. 7. Adaptive chemical solver (as option) / KPP 3.0.0 Differences are on the order of numerical noise. OH changes by -0.00015%. Bob wrote, "I have verified that using the rosenbrock_autoreduce integrator with 5 and 8 cores gives identical results. But using rosenbrock_autoreduce vs. rosenbrock (even w/ the autoreduction option turned off) will result in small numerical differences, probably due to different code under the hood being optimized differently. I think this is OK and not a bug." See plots and tables documenting the changes from this update here. 8. Retire land-water-ice (LWI) input field GCHP changes are due primarily to the snow fix. The GCClassic changes are much bigger than GCHP and this is caused by going from the pre-processing LWI method to online. This update causes changes mainly near coastlines and over oceans. Ocean emissions of ACET, ALD2, DMS, ETNO3, MENO3 show changes <10% (GCClassic only). NO ship emissions change by ~1%. Lightning and soil NO also change slightly (GCClassic only). See plots and tables documenting the changes from this update here. *9. Fix double-titration of seasalt alkalinity* This update impacts SALAAL and SALCAL as shown in these comparison plots from Becky Alexander. SO4s also increases drastically. Global mean OH changes by 0.0071%. See plots and tables documenting the changes from this update here.

1-month GEOS-Chem Classic version comparison (14.1.0 vs 14.0.2)

Below are links to plots and tables comparing 1-month simulations for GEOS-Chem Classic 14.1.0 (Dev) and GEOS-Chem Classic 14.0.2 (Ref).

Species Category	Plots					Additional Information
	Level Map		Zonal Mean		Emissions
Oxidants O3, CO, OH, NOx	sfc	500hPa	full column	stratosphere	sfc
Aerosols DST1, DST2, DST3, DST4, NH4, NIT, SO4, HMS, BCPI, BCPO, OCPI, OCPO, AERI, BrSALA, BrSALC, ISALA, ISALC, NITs, SALA, SALC, SO4s, Simple_SOA, Complex_SOA, pFe	sfc	500hPa	full column	stratosphere	column total	AOD
Bromine Bry, BrOx, Br, Br2, BrCl, BrNO2, BrNO3, BrO, CH3Br, CH2Br2, CHBr3, HOBr, HBr	sfc	500hPa	full column	stratosphere	column total
Chlorine Cly, ClOx, Cl, ClO, Cl2, Cl2O2, ClOO, ClNO2, ClNO3, CCl4, CFCs, CH3Cl, CH2Cl2, CH3CCl3, CHCl3, HOCl, HCl, Halons, HCFCs, OClO	sfc	500hPa	full column	stratosphere	--
Iodine Iy, IxOy, I, I2, IBr, ICl, IO, IONO, IONO2, CH3I, CH2I2, CH2ICl, CH2IBr, HI, HOI, OIO	sfc	500hPa	full column	stratosphere	column total
Nitrogen NOy, NOx, HNO2, HNO3, HNO4, MPAN, NIT, NO, NO2, NO3, N2O5, MPN, PAN, PPN, N2O, NHx, NH3, NH4, MENO3, ETNO3, IPRNO3, NPRNO3, AONITA, ETHN, BZPAN, NPHEN	sfc	500hPa	full column	stratosphere	column total
Primary Organics EOH, MOH, ISOP, MTPA, MTPO, LIMO, ALK4, BENZ, CH4, C2H2, C2H4, C2H6, C3H8, PRPE, TOLU, XYLE	sfc	500hPa	full column	stratosphere	column total
Secondary Organics ACTA, ALD2, BALD, CH2O, HPALDs, MACR, IEPOX, ACET, HAC, MEK, MVK, ISOPN, GLYC, GLYX, HCOOH, MAP, PHEN, RCHO, ETHP, MP	sfc	500hPa	full column	stratosphere	column total
Secondary Organic Aerosols TSOA0, TSOA1, TSOA2, TSOA3, ASOA1, ASOA2, ASOA3, ASOAN, TSOG0, TSOG1, TSOG2, TSOG3, ASOG1, ASOG2, ASOG3, INDIOL, LVOCOA, SOAIE, SOAGX, SOAP, SOAS	sfc	500hPa	full column	stratosphere	column total
Sulfur SOx, DMS, HMS, OCS, SO2, SO4	sfc	500hPa	full column	stratosphere	column total
ROy H2O2, H, H2, H2O, HO2, O1D, OH, RO2	sfc	500hPa	full column	stratosphere	--
J-values	sfc	500hPa	full column	stratosphere	--	--

Emissions by HEMCO category	Total Aircraft, Anthropogenic, Biomass Burning, Biogenic, Lightning, Natural, Ocean, Seabirds, Decaying Plants, Ship, Soil, Degassing Volcanoes, Erupting Volcanoes
Emission totals	Tables by species Tables by inventory
Global mass	Entire atmosphere Troposphere only
Metrics	OH concentration, MCF lifetime, CH4 lifetime

1-month GCHP version comparison (14.1.0 vs 14.0.2)

Below are links to plots and tables comparing 1-month simulations for GCHP 14.1.0 (Dev) and GCHP 14.0.2 (Ref).

Species Category²	Plots					Additional Information
	Level Map		Zonal Mean		Emissions
Oxidants O3, CO, OH, NOx	sfc	500hPa	full column	stratosphere	column total
Aerosols DST1, DST2, DST3, DST4, NH4, NIT, SO4, BCPI, BCPO, OCPI, OCPO, AERI, BrSALA, BrSALC, ISALA, ISALC, NITs, SALA, SALC, SO4s, Simple_SOA, Complex_SOA, pFe	sfc	500hPa	full column	stratosphere	column total	AOD
Bromine Bry, BrOx, Br, Br2, BrCl, BrNO2, BrNO3, BrO, CH3Br, CH2Br2, CHBr3, HOBr, HBr	sfc	500hPa	full column	stratosphere	column total
Chlorine Cly, ClOx, Cl, ClO, Cl2, Cl2O2, ClOO, ClNO2, ClNO3, CCl4, CFCs, CH3Cl, CH2Cl2, CH3CCl3, CHCl3, HOCl, HCl, Halons, HCFCs, OClO	sfc	500hPa	full column	stratosphere	--
Iodine Iy, IxOy, I, I2, IBr, ICl, IO, IONO, IONO2, CH3I, CH2I2, CH2ICl, CH2IBr, HI, HOI, OIO	sfc	500hPa	full column	stratosphere	column total
Nitrogen NOy, NOx, HNO2, HNO3, HNO4, MPAN, NIT, NO, NO2, NO3, N2O5, MPN, PAN, PPN, N2O, NHx, NH3, NH4, MENO3, ETNO3, IPRNO3, NPRNO3	sfc	500hPa	full column	stratosphere	column total
Primary Organics EOH, MOH, ISOP, MTPA, MTPO, LIMO, ALK4, BENZ, CH4, C2H6, C3H8, PRPE, TOLU, XYLE	sfc	500hPa	full column	stratosphere	column total
Secondary Organics ACTA, ALD2, CH2O, HPALDs, MACR, IEPOX, ACET, HAC, MEK, MVK, ISOPN, GLYC, GLYX, HCOOH, MAP, RCHO, MP	sfc	500hPa	full column	stratosphere	column total
Secondary Organic Aerosols TSOA0, TSOA1, TSOA2, TSOA3, ASOA1, ASOA2, ASOA3, ASOAN, TSOG0, TSOG1, TSOG2, TSOG3, ASOG1, ASOG2, ASOG3, INDIOL, LVOCOA, SOAIE, SOAGX, SOAP, SOAS	sfc	500hPa	full column	stratosphere	column total
Sulfur SOx, DMS, HMS, OCS, SO2, SO4	sfc	500hPa	full column	stratosphere	column total
ROy H2O2, H, H2, H2O, HO2, O1D, OH, RO2	sfc	500hPa	full column	stratosphere	--
J-values	sfc	500hPa	full column	stratosphere	--	--

Emissions by HEMCO category	Total Aircraft, Anthropogenic, Biomass Burning, Biogenic, Lightning, Natural, Ocean, Seabirds, Decaying Plants, Ship, Soil, Degassing Volcanoes, Erupting Volcanoes
Emission totals	Tables by species Tables by inventory
Global mass	Entire atmosphere Troposphere only

1-month GCHP vs GEOS-Chem Classic comparison

Below are links to plots and tables comparing 1-month simulations for GCHP 14.1.0 (Dev) and GEOS-Chem Classic 14.1.0 (Ref).

Species Category²	Plots					Additional Information
	Level Map		Zonal Mean		Emissions
Oxidants O3, CO, OH, NOx	sfc	500hPa	full column	stratosphere	column total
Aerosols DST1, DST2, DST3, DST4, NH4, NIT, SO4, BCPI, BCPO, OCPI, OCPO, AERI, BrSALA, BrSALC, ISALA, ISALC, NITs, SALA, SALC, SO4s, Simple_SOA, Complex_SOA, pFe	sfc	500hPa	full column	stratosphere	column total	AOD
Bromine Bry, BrOx, Br, Br2, BrCl, BrNO2, BrNO3, BrO, CH3Br, CH2Br2, CHBr3, HOBr, HBr	sfc	500hPa	full column	stratosphere	column total
Chlorine Cly, ClOx, Cl, ClO, Cl2, Cl2O2, ClOO, ClNO2, ClNO3, CCl4, CFCs, CH3Cl, CH2Cl2, CH3CCl3, CHCl3, HOCl, HCl, Halons, HCFCs, OClO	sfc	500hPa	full column	stratosphere	--
Iodine Iy, IxOy, I, I2, IBr, ICl, IO, IONO, IONO2, CH3I, CH2I2, CH2ICl, CH2IBr, HI, HOI, OIO	sfc	500hPa	full column	stratosphere	column total
Nitrogen NOy, NOx, HNO2, HNO3, HNO4, MPAN, NIT, NO, NO2, NO3, N2O5, MPN, PAN, PPN, N2O, NHx, NH3, NH4, MENO3, ETNO3, IPRNO3, NPRNO3	sfc	500hPa	full column	stratosphere	column total
Primary Organics EOH, MOH, ISOP, MTPA, MTPO, LIMO, ALK4, BENZ, CH4, C2H6, C3H8, PRPE, TOLU, XYLE	sfc	500hPa	full column	stratosphere	column total
Secondary Organics ACTA, ALD2, CH2O, HPALDs, MACR, IEPOX, ACET, HAC, MEK, MVK, ISOPN, GLYC, GLYX, HCOOH, MAP, RCHO, MP	sfc	500hPa	full column	stratosphere	column total
Secondary Organic Aerosols TSOA0, TSOA1, TSOA2, TSOA3, ASOA1, ASOA2, ASOA3, ASOAN, TSOG0, TSOG1, TSOG2, TSOG3, ASOG1, ASOG2, ASOG3, INDIOL, LVOCOA, SOAIE, SOAGX, SOAP, SOAS	sfc	500hPa	full column	stratosphere	column total
Sulfur SOx, DMS, HMS, OCS, SO2, SO4	sfc	500hPa	full column	stratosphere	column total
ROy H2O2, H, H2, H2O, HO2, O1D, OH, RO2	sfc	500hPa	full column	stratosphere	--
J-values	sfc	500hPa	full column	stratosphere	--	--

Emissions by HEMCO category	Total Aircraft, Anthropogenic, Biomass Burning, Biogenic, Lightning, Natural, Ocean, Seabirds, Decaying Plants, Ship, Soil, Degassing Volcanoes, Erupting Volcanoes
Emission totals	Tables by species Tables by inventory
Global mass	Entire atmosphere Troposphere only

1-month GCHP vs GEOS-Chem-Classic diff-of-diffs

Below are links to plots and tables comparing 1-month simulations for GCHP 14.1.0 - 14.0.2 (Dev) and GEOS-Chem Classic GCHP 14.1.0 - 14.0.2 (Ref).

Species Category²	Plots
	Level Map		Zonal Mean
Oxidants O3, CO, OH, NOx	sfc	500hPa	full column	stratosphere
Aerosols DST1, DST2, DST3, DST4, NH4, NIT, SO4, BCPI, BCPO, OCPI, OCPO, AERI, BrSALA, BrSALC, ISALA, ISALC, NITs, SALA, SALC, SO4s, Simple_SOA, Complex_SOA, pFe	sfc	500hPa	full column	stratosphere
Bromine Bry, BrOx, Br, Br2, BrCl, BrNO2, BrNO3, BrO, CH3Br, CH2Br2, CHBr3, HOBr, HBr	sfc	500hPa	full column	stratosphere
Chlorine Cly, ClOx, Cl, ClO, Cl2, Cl2O2, ClOO, ClNO2, ClNO3, CCl4, CFCs, CH3Cl, CH2Cl2, CH3CCl3, CHCl3, HOCl, HCl, Halons, HCFCs, OClO	sfc	500hPa	full column	stratosphere
Iodine Iy, IxOy, I, I2, IBr, ICl, IO, IONO, IONO2, CH3I, CH2I2, CH2ICl, CH2IBr, HI, HOI, OIO	sfc	500hPa	full column	stratosphere
Nitrogen NOy, NOx, HNO2, HNO3, HNO4, MPAN, NIT, NO, NO2, NO3, N2O5, MPN, PAN, PPN, N2O, NHx, NH3, NH4, MENO3, ETNO3, IPRNO3, NPRNO3	sfc	500hPa	full column	stratosphere
Primary Organics EOH, MOH, ISOP, MTPA, MTPO, LIMO, ALK4, BENZ, CH4, C2H6, C3H8, PRPE, TOLU, XYLE	sfc	500hPa	full column	stratosphere
Secondary Organics ACTA, ALD2, CH2O, HPALDs, MACR, IEPOX, ACET, HAC, MEK, MVK, ISOPN, GLYC, GLYX, HCOOH, MAP, RCHO, MP	sfc	500hPa	full column	stratosphere
Secondary Organic Aerosols TSOA0, TSOA1, TSOA2, TSOA3, ASOA1, ASOA2, ASOA3, ASOAN, TSOG0, TSOG1, TSOG2, TSOG3, ASOG1, ASOG2, ASOG3, INDIOL, LVOCOA, SOAIE, SOAGX, SOAP, SOAS	sfc	500hPa	full column	stratosphere
Sulfur SOx, DMS, OCS, SO2, SO4	sfc	500hPa	full column	stratosphere
ROy H2O2, H, H2, H2O, HO2, O1D, OH, RO2	sfc	500hPa	full column	stratosphere

@@ Line 1: / Line 1: @@
 '''''[[GEOS-Chem_versions|GEOS-Chem Versions Page]]'''''
-This page includes information about GEOS-Chem 14.1.0. The  [http://wiki.seas.harvard.edu/geos-chem/index.php/GEOS-Chem_model_development_priorities GEOS-Chem model development priorities page] lists additional developments that may be added.
 === Version overview ===
 '''''This version is currently in development'''''
+* '''Release date:''' 01 Feb 2023
+* '''DOI for GC Classic 14.1.0:''' [https://doi.org/10.5281/zenodo.7600579 10.5281/zenodo.7600579]
+* '''DOI for GCHP 14.1.0:''' [https://doi.org/10.5281/zenodo.7600586 10.5281/zenodo.7600586]
+* '''DOI for GEOS-Chem 14.1.0:''' [https://doi.org/10.5281/zenodo.7600404 10.5281/zenodo.7600404] (science code)
+* '''DOI for HEMCO 3.6.0:''' [https://doi.org/10.5281/zenodo.7600424 10.5281/zenodo.7600424]
 The following items have been added to GEOS-Chem 14.1.0.  Also see the following Github pages:
@@ Line 64: / Line 68: @@
 |-valign="top"
-|[https://github.com/geoschem/geos-chem/pull/1425 Bug fix for computing fraction land type]
+|[https://github.com/geoschem/geos-chem/pull/1425 Bug fix in computing IsLand, IsWater, IsOcean, IsIce]
 |Lizzie Lundgren (Harvard)
 |Chemistry
@@ Line 84: / Line 88: @@
 |
 *[https://github.com/geoschem/geos-chem/pull/1521 geoschem/geos-chem PR #1521]
-|-valign="top"
-|Bug fix: Initialize CO2 to a relevant value for full-chemistry
-|Mike Long (GMAO)
-|Chemistry
-|
-*[https://github.com/geoschem/geos-chem/issues/1529 geoschem/geos-chem #1529]
 |-valign="top"
@@ Line 168: / Line 165: @@
 |-valign="top"
-|[https://github.com/geoschem/geos-chem/pull/1600 Fix time slice in GCClassic time-averaged diagnostic output to match reference time]
+|[https://github.com/geoschem/geos-chem/pull/1600 Change time-averaged diagnostic timestamps from mid-point to start time]
 |Bob Yantosca (Harvard)
 |Diagnostic
@@ Line 432: / Line 429: @@
 |Global mean OH:<br>(% change from previous version)
 |12.43694048476 x 10<sup>5</sup> molec/cm3 <br>(+0.36%)
-| x 10<sup>5</sup> molec/cm3 <br>(-0.01%)
+|12.42734941258 x 10<sup>5</sup> molec/cm3 <br>(+0.39%)
 |-valign="top"
 |Methyl chloroform lifetime:<br>(% change from previous version)
 |4.967487 years<br>(-0.58%)
-| years<br>(+0.024%)
+|4.954014 years<br>(-0.56%)
 |-valign="top"
 |Methane lifetime:<br>(% change from previous version)
 |8.371064 years<br>(-0.60)
-| years<br>(+0.027%)
+|8.345184 years<br>(-0.57%)
 |-valign="top" bgcolor="#cccccc"
@@ Line 449: / Line 446: @@
 |-valign="top"
 |Species, J-Values, and COLUMN AOD values that changed by 10% or more at the '''surface''':
-|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gcc-4x5-1Mon-14.0.2-gcc-4x5-1Mon-14.1.0-alpha.13/BenchmarkResults/SigDiffs_sfc.txt GEOS-Chem Classic 14.0.0 vs 13.4.0]
+|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gcc-4x5-1Mon-14.0.2-gcc-4x5-1Mon-14.1.0-alpha.13/BenchmarkResults/SigDiffs_sfc.txt GEOS-Chem Classic 14.1.0 vs 14.0.2]
-|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gchp-c24-1Mon-14.0.2-gchp-c24-1Mon-14.1.0-alpha.13/BenchmarkResults/GCHP_version_comparison/SigDiffs_sfc.txt GCHP 14.0.0 vs 13.4.0]
+|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gchp-c24-1Mon-14.0.2-gchp-c24-1Mon-14.1.0-alpha.13/BenchmarkResults/GCHP_version_comparison/SigDiffs_sfc.txt GCHP 14.1.0 vs 14.0.2]
 |-valign="top"
 |Species and J-Values that changed by 10% or more at '''500 hPa''':
-|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gcc-4x5-1Mon-14.0.2-gcc-4x5-1Mon-14.1.0-alpha.13/BenchmarkResults/SigDiffs_500hpa.txt GEOS-Chem Classic 14.0.0 vs 13.4.0]
+|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gcc-4x5-1Mon-14.0.2-gcc-4x5-1Mon-14.1.0-alpha.13/BenchmarkResults/SigDiffs_500hpa.txt GEOS-Chem Classic 14.1.0 vs 14.0.2]
-|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gchp-c24-1Mon-14.0.2-gchp-c24-1Mon-14.1.0-alpha.13/BenchmarkResults/GCHP_version_comparison/SigDiffs_500hpa.txt GCHP 14.0.0 vs 13.4.0]
+|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gchp-c24-1Mon-14.0.2-gchp-c24-1Mon-14.1.0-alpha.13/BenchmarkResults/GCHP_version_comparison/SigDiffs_500hpa.txt GCHP 14.1.0 vs 14.0.2]
 |-valign="top"
 |Species and J-Values that changed by 10% or more in '''zonal mean''':
-|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gcc-4x5-1Mon-14.0.2-gcc-4x5-1Mon-14.1.0-alpha.13/BenchmarkResults/SigDiffs_zonalmean.txt GEOS-Chem Classic 14.0.0 vs 13.4.0]
+|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gcc-4x5-1Mon-14.0.2-gcc-4x5-1Mon-14.1.0-alpha.13/BenchmarkResults/SigDiffs_zonalmean.txt GEOS-Chem Classic 14.1.0 vs 14.0.2]
-|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gchp-c24-1Mon-14.0.2-gchp-c24-1Mon-14.1.0-alpha.13/BenchmarkResults/GCHP_version_comparison/SigDiffs_zonalmean.txt GCHP 14.0.0 vs 13.4.0]
+|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gchp-c24-1Mon-14.0.2-gchp-c24-1Mon-14.1.0-alpha.13/BenchmarkResults/GCHP_version_comparison/SigDiffs_zonalmean.txt GCHP 14.1.0 vs 14.0.2]
 |-valign="top"
 |'''Emissions''' that changed by 10% or more:
-|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gcc-4x5-1Mon-14.0.2-gcc-4x5-1Mon-14.1.0-alpha.13/BenchmarkResults/SigDiffs_emissions.txt GEOS-Chem Classic 14.0.0 vs 13.4.0]
+|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gcc-4x5-1Mon-14.0.2-gcc-4x5-1Mon-14.1.0-alpha.13/BenchmarkResults/SigDiffs_emissions.txt GEOS-Chem Classic 14.1.0 vs 14.0.2]
-|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gchp-c24-1Mon-14.0.2-gchp-c24-1Mon-14.1.0-alpha.13/BenchmarkResults/GCHP_version_comparison/SigDiffs_emissions.txt GCHP 14.0.0 vs 13.4.0]
+|[https://benchmarks-cloud.s3.amazonaws.com/diff-plots/1Mon/diff-gchp-c24-1Mon-14.0.2-gchp-c24-1Mon-14.1.0-alpha.13/BenchmarkResults/GCHP_version_comparison/SigDiffs_emissions.txt GCHP 14.1.0 vs 14.0.2]
 |-valign="top" bgcolor="#cccccc"
@@ Line 473: / Line 470: @@
 |colspan="4"|'''''Below we summarize the notable changes caused by specific updates. See also the [[#1-month internal benchmarks|internal benchmark results]] which isolate impacts from specific updates.'''''
-'''''1. [https://github.com/geoschem/geos-chem/issues/1386 Fix GC-Classic pressure fixer bug that caused high ozone bias over poles in 13.4.0 global simulations]'''''
+'''''1. [https://github.com/geoschem/geos-chem/issues/1235 Add MO2 + NO3 reaction]'''''
+<blockquote>Global mean OH changed by 0.4%; MO2 and NO3 concentrations decrease and NO2, CH2O, and HO2 concentrations increase as expected. See plots and tables documenting the changes from this update [https://gc-dashboard.org/difference?primary_key=diff-gcc-4x5-1Mon-14.1.0-alpha.0-gcc-4x5-1Mon-14.1.0-alpha.1 here].</blockquote>
+'''''2. [https://github.com/geoschem/geos-chem/issues/1274 Revision to a rate constant for the C2H4 scheme]'''''
+<blockquote>Global mean OH changed by -0.02%. Most species show <1% change in global mass. There are larger changes in ETO, ETP, GLYC, GLYX, HCOOH, and SOAGX as may be expected by changing the ETO reaction rate. See plots and tables documenting the changes from this update [https://gc-dashboard.org/difference?primary_key=diff-gcc-4x5-1Mon-14.1.0-alpha.1-gcc-4x5-1Mon-14.1.0-alpha.2 here].</blockquote>
+'''''3. [https://github.com/geoschem/geos-chem/issues/1298 Fix product in HOBr/Cl + S(IV) reactions]'''''
+<blockquote>Differences from this fix are very small. Global mean OH changed by -0.0008%. Differences in all species are < 1% except for SO4s which decreased by -99.984% (as expected because we're removing its production by HOBr and HOCl). See plots and tables documenting the changes from this update [https://gc-dashboard.org/difference?primary_key=diff-gcc-4x5-1Mon-14.1.0-alpha.2-gcc-4x5-1Mon-14.1.0-alpha.3 here].</blockquote>
+'''''4. [https://github.com/geoschem/geos-chem/issues/1312 Fix molecular weight of CH4]'''''
+<blockquote>This fix introduces very small differences due to changing CH4 molecular weight. Global mean OH changes by 0.0007%. Changes in global mass for all species is << 1%. See plots and tables documenting the changes from this update [https://gc-dashboard.org/difference?primary_key=diff-gcc-4x5-1Mon-14.1.0-alpha.3-gcc-4x5-1Mon-14.1.0-alpha.4 here].</blockquote>
+'''''5. [https://github.com/geoschem/geos-chem/issues/1426 Bug fix: Treat SO4s and NITs as coarse aerosol in wet scavenging]'''''
+<blockquote>This fix produces large changes in SO4s, NITs as expected . NITs changed by -26.12% and SO4s changed by -57.31%. All other species changed by <1% exept for ClNO2 (+2.3%). Global mean OH changed by -0.013%. See plots and tables documenting the changes from this update [https://gc-dashboard.org/difference?primary_key=diff-gcc-4x5-1Mon-14.1.0-alpha.4-gcc-4x5-1Mon-14.1.0-alpha.5 here].</blockquote>
+'''''6. [https://github.com/geoschem/geos-chem/pull/1425 Bug fix for determining predominant land type per grid cell]'''''
+<blockquote>This fix produces small differences as expected. Global mean OH changed by -0.00028% and all other species concentrations changed by << 1%. The differences are mainly at high latitudes. See plots and tables documenting the changes from this update [https://gc-dashboard.org/difference?primary_key=diff-gcc-4x5-1Mon-14.1.0-alpha.5-gcc-4x5-1Mon-14.1.0-alpha.6 here].</blockquote>
+'''''7. [https://gmd.copernicus.org/articles/13/2475/2020/gmd-13-2475-2020.pdf Adaptive chemical solver] (as option) / KPP 3.0.0'''''
+<blockquote>Differences are on the order of numerical noise. OH changes by -0.00015%. Bob wrote, "I have verified that using the rosenbrock_autoreduce integrator with 5 and 8 cores gives identical results.  But using rosenbrock_autoreduce vs. rosenbrock (even w/ the autoreduction option turned off) will result in small numerical differences, probably due to different code under the hood being optimized differently.  I think this is OK and not a bug."
+See plots and tables documenting the changes from this update [https://gc-dashboard.org/difference?primary_key=diff-gcc-4x5-1Mon-14.1.0-alpha.9-gcc-4x5-1Mon-14.1.0-alpha.10 here].</blockquote>
+'''''8. [https://github.com/geoschem/geos-chem/issues/1413 Retire land-water-ice (LWI) input field]'''''
-<blockquote>This fix addressed the high O3 bias over the poles and decreased O3 by up to 10 ppb at high latitudes as shown in [http://s3.amazonaws.com/benchmarks-cloud/diff-plots/1Mon/diff-gcc-4x5-1Mon-14.0.0-alpha.8-gcc-4x5-1Mon-14.0.0-alpha.9/BenchmarkResults/Oxidants/Oxidants_Surface.pdf this plot]. Global mean OH concentrations changed by -0.49% with this fix.</blockquote>
+<blockquote>GCHP changes are due primarily to the snow fix. The GCClassic changes are much bigger than GCHP and this is caused by going from the pre-processing LWI method to online. This update causes changes mainly near coastlines and over oceans. Ocean emissions of ACET, ALD2, DMS, ETNO3, MENO3 show changes <10% (GCClassic only). NO ship emissions change by ~1%. Lightning and soil NO also change slightly (GCClassic only). See plots and tables documenting the changes from this update [https://gc-dashboard.org/difference?primary_key=diff-gcc-4x5-1Mon-14.1.0-alpha.10-gcc-4x5-1Mon-14.1.0-alpha.11 here].</blockquote>
-<blockquote>This bug was identified when examining large differences in GEOS-Chem Classic vs GCHP that were introduced in 13.4.0. The [http://s3.amazonaws.com/benchmarks-cloud/diff-plots/1Mon/diff-of-diffs-1Mon-gchp-c24-gcc-4x5-14.0.2-14.1.0-alpha.13/BenchmarkResults/GCHP_GCC_diff_of_diffs/Oxidants/Oxidants_Surface.pdf decreases in O3 seen in GEOS-Chem Classic in this version] largely correct the [http://ftp.as.harvard.edu/gcgrid/geos-chem/1mo_benchmarks/GC_13/13.4.0-rc.4/GCHP/BenchmarkResults/GCHP_GCC_diff_of_diffs/Oxidants/Oxidants_Surface.pdf increases in O3 in GEOS-Chem Classic observed in 13.4.0]</blockquote>
+'''''9. [https://github.com/geoschem/geos-chem/issues/1506 Fix double-titration of seasalt alkalinity]
+<blockquote>This update impacts SALAAL and SALCAL as shown in [https://github.com/geoschem/geos-chem/files/10036621/SALAAL_SALCAL.pdf these comparison plots] from Becky Alexander. SO4s also increases drastically. Global mean OH changes by 0.0071%. See plots and tables documenting the changes from this update [https://gc-dashboard.org/difference?primary_key=diff-gcc-4x5-1Mon-14.1.0-alpha.12-gcc-4x5-1Mon-14.1.0-alpha.13 here].</blockquote>
 |}
@@ Line 815: / Line 849: @@
 |-valign="top"
 |'''Emission totals'''
-|colspan="6"|[http://s3.amazonaws.com/benchmarks-cloud/diff-plots/1Mon/diff-gchp-c24-1Mon-14.0.2-gchp-c24-1Mon-14.1.0-alpha.13/BenchmarkResults/GCHP_version_comparison//Tables/Emission_totals.txt Tables by species]
+|colspan="6"|[http://s3.amazonaws.com/benchmarks-cloud/diff-plots/1Mon/diff-gchp-c24-1Mon-14.0.2-gchp-c24-1Mon-14.1.0-alpha.13/BenchmarkResults/GCHP_version_comparison/Tables/Emission_totals.txt Tables by species]
 [http://s3.amazonaws.com/benchmarks-cloud/diff-plots/1Mon/diff-gchp-c24-1Mon-14.0.2-gchp-c24-1Mon-14.1.0-alpha.13/BenchmarkResults/GCHP_version_comparison/Tables/Inventory_totals.txt Tables by inventory]

GEOS-Chem 14.1.0: Difference between revisions

Latest revision as of 20:48, 14 May 2024

Contents

Version overview

New data directories

1-month full-chemistry benchmarks

1-month benchmark setup

1-month internal benchmarks

1-month benchmark assessment form

1-month GEOS-Chem Classic version comparison (14.1.0 vs 14.0.2)

1-month GCHP version comparison (14.1.0 vs 14.0.2)

1-month GCHP vs GEOS-Chem Classic comparison

1-month GCHP vs GEOS-Chem-Classic diff-of-diffs

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GEOS-Chem 14.1.0: Difference between revisions

Latest revision as of 20:48, 14 May 2024

Version overview

New data directories

1-month full-chemistry benchmarks

1-month benchmark setup

1-month internal benchmarks

1-month benchmark assessment form

1-month GEOS-Chem Classic version comparison (14.1.0 vs 14.0.2)

1-month GCHP version comparison (14.1.0 vs 14.0.2)

1-month GCHP vs GEOS-Chem Classic comparison

1-month GCHP vs GEOS-Chem-Classic diff-of-diffs

Navigation menu

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