GEOS-Chem 14.5.0: Difference between revisions

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*[http://geoschemdata.wustl.edu/ExternalShare/geos-chem/1yr_benchmarks/14.5.0-rc.0/GCHP/FullChem/BenchmarkResults/GCHP_version_comparison/Tables/OH_metrics.txt OH concentration, MCF lifetime, CH4 lifetime]
*[http://geoschemdata.wustl.edu/ExternalShare/geos-chem/1yr_benchmarks/14.5.0-rc.0/GCHP/FullChem/BenchmarkResults/GCHP_version_comparison/Tables/OH_metrics.txt OH concentration, MCF lifetime, CH4 lifetime]
*[http://geoschemdata.wustl.edu/ExternalShare/geos-chem/1yr_benchmarks/14.5.0-rc.0/GCHP/FullChem/BenchmarkResults/GCHP_version_comparison/Tables/Strat_trop_exchange.txt O3 strat-trop exchange]
*[http://geoschemdata.wustl.edu/ExternalShare/geos-chem/1yr_benchmarks/14.5.0-rc.0/GCHP/FullChem/BenchmarkResults/GCHP_version_comparison/Tables/Ox_budget_troposphere_2019.txt Tropospheric Ox budget]
*[http://geoschemdata.wustl.edu/ExternalShare/geos-chem/1yr_benchmarks/14.5.0-rc.0/GCHP/FullChem/BenchmarkResults/GCHP_version_comparison/Tables/Ox_budget_troposphere_2019.txt Tropospheric Ox budget]


Revision as of 14:45, 29 October 2024

Version overview

This version is currently in development

Model GitHub Release Page DOI
GEOS-Chem Classic 14.5.0 TBD TBD
GCHP 14.5.0 TBD TBD

Submodule updates this version

The following submodules were updated to new versions in this release.

Submodule version GitHub release page DOI
GEOS-Chem 14.5.0 TBD TBD
HEMCO 3.10.0 TBD TBD
Cloud-J 8.0.1 https://github.com/geoschem/Cloud-J/releases/tag/8.0.1 10.5281/zenodo.13862693

What's new in this version

Updates that will affect full-chemistry benchmark simulations

Feature Contributor(s) Model scope Notes and references
Pass non-zero Ca2, Mg, and K cations to HETP; Update dry mass fractions accordingly Becky Alexander (UW)
Lizzie Lundgren (Harvard) 		Aerosols
Allow per-species definition of KPP absolute and relative solver tolerances; Set absolute tolerances of dummy species to large value Obin Sturm (USC)
Bob Yantosca (Harvard) 		Chemistry
Fix bugs in PDER, OCPISOA and TotalOC in complexSOA Yuanjian Zhang (WashU) Chemistry
Add fixes for ALK4 and R4N2 chemistry from Brewer et al. (2023, JGR) Jared Brewer (UMN) Chemistry
Chemistry for RCOOH, monoterpenes, new PNs and ANs from Travis et al. (2024) Katie Travis (JPL) Chemistry
Adding PPN photolysis Bex Horner (UCL) Chemistry
Cloud-J v8.0 including UV H2O absorption Lizzie Lundgren (Harvard)
Michael Prather (UCI) 		Cloud-J submodule
Restore dry deposition output in GCHP & GCClassic fullchem benchmark simulations Bob Yantosca (Harvard) Diagnostics
Remove J-value diagnostics which are all zero Bob Yantosca (Harvard) Diagnostics
Add emission factors for ALK6, C4H6, EBZ, STYR, TMB emissions in GFED and FINN biomass burning Kelvin Bates (Colorado) Emissions
Fix mass non-conservation in VDIFF PBL mixing Nick Balasus (Harvard) PBL mixing

Updates that will NOT affect full-chemistry benchmark simulations

Feature Contributor(s) Model scope Notes and references
Updated soil NOx scheme from Y. Wang et al (2021), as an option Yi Wang (Iowa)
Jun Wang (Iowa) 		Emissions
Update GFED4_Climatology entries for period 2010-2023 with new species Bob Yantosca (Harvard) Emissions
CH4 simulation fixes, including
  • Apply seasonality to CH4 hydropower reservoir emissions
  • Prevent double counting agricultural burning emissions
 Melissa Sulprizio (Harvard) Carbon/CH4 simulation
Carbon simulation fixes in GCHP Lizzie Lundgren (Harvard) Carbon simulation
Fix pressure handling in HEMCO standalone Bob Yantosca (Harvard) HEMCO standalone
Update run scripts and environment files for NASA discover cluster Lizzie Lundgren (Harvard) NASA Discover
Move aerosol optics files to CHEM_INPUTS/Aerosol_Optics/ directory tree Lizzie Lundgren (Harvard) Structural

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
Aerosol optics aerosol-only
fullchem 		Configuration files (brc.dat, dust.dat, h2so4.dat, org.dat, so4.dat, soot.dat, ssa.dat, ssc.dat containing optical properties were copied here. Used for computing AOD. ExtData/CHEM_INPUTS/Aerosol_Optics/2024-08/
GFED4 climatology fullchem Climatology and monthly-mean emissions for period 2010-2023, with species that were added in 14.5.0, namely:
  • GFED4_climatology_2010-2023_05x0625.nc
  • GFED4_monmean_05x0625_2010-2023.nc
 ExtData/HEMCO/GFED4/v2023-03/
Cloud-J inputs fullchem Copy of v2023-05 with H2O UV absorption cross-sections added, species PPN added, and aerosol dat-files used for computing AOD in GEOS-Chem removed. ExtData/CHEM_INPUTS/CLOUD_J/2024-09/
Restart files fullchem Restart files with new species in the 14.5.0 chemistry mechanism (taken from the 1-yr benchmark) TBD

Species changes

Summary

Species metric 14.4.0 14.5.0 Change % Change
Total # species 311 372 +61 19.6
# advected 222 265 +43 19.4
# dry deposited 160 198 +38 23.8
# wet deposited 144 181 +37 25.7
# photolyzed 140 160 +20 14.3

Species Added

Name Formula Fullname Advected Dry deposited Gas Photolyzed Wet deposited
ACO3 C3H3O3 Peroxyacetyl radical for APAN X
ACR C3H3O Acrolein X X X X
ACRO2 C3H5O4 Peroxy radical from ACR X
ALK4N1 C4H8NO5 Peroxy radical from ALK4N2 X
ALK4N2 RO2NO Lumped alkyl nitrate from ALK4 X X X X X
ALK4O2 C4H9O2 Peroxy radical from ALK4 X
ALK4P CH3CH2CH2CH2OOH Peroxide from ALK4O2 X X X X X
ALK7 C7H16 Lumped >= C6 Alkanes X
APAN C3H3NO5 Peroxyacryloyl nitrate X X X X X
APINN C10H17NO4 1st gen organic nitrate from APIN X X X X X
APINO2 C10H17O3 Peroxy radical from APIN X
APINP C10H18O3 Hydroperoxide from APIN X X X X
AROMCHO C5H6O4 ACCOMECHO from MCM X X X X
AROMCO3 C5H5O6 Lumped aromatic peroxyacetyl radical X
AROMPN C5H5NO8 Lumped PN from aromatics X X X X X
BPINN C10H17NO4 Saturated 1st gen BPIN organic nitrate X X X X X
BPINO C9H14O Ketone from BPIN X X X X
BPINO2 C10H17O3 Peroxy radical from BPIN X
BPINON C9H13NO4 Saturated 2nd gen BPIN organic nitrate X X X X X
BPINOO2 C10H17O3 2nd-gen peroxy radical from BPIN X
BPINOOH C9H14O3 2nd-gen peroxide from BPIN X X X X
BPINP C10H18O3 Peroxide from BPIN X X X X
BUTN C4H7NO4 C4H6 alkyl nitrate X X X X X
BUTO2 C4H7O3 peroxy radical from C4H6 X
C4H6 C4H6 1,3-butadiene X X
C96N C9H15NO Saturated 2nd gen monoterpene organic nitrate X X X X X
C96O2 C10H17O3 2nd-gen peroxy radical from APIN X
C96O2H C9H16O3 Peroxide from APIN 2nd gen X X X X
EBZ C8H10 Ethylbenzene X X
GCO3 HOCH2CO3 Peroxyacetyl radical for PHAN X
HACTA HOCH2CO2H Hydroxyacetic/glycolic acid X X X X
LIMAL C10H16O2 Aldehyde from limonene X X X X
LIMKB C10H16O3 2nd gen ketone from limonene X X X X
LIMKET C10H16O2 Ketone from limonene X X X X
LIMKO2 C10H17O3 2nd-gen peroxy radical from LIMO X
LIMN C10H17NO4 Saturated 1st gen limonene organic nitrate X X X X X
LIMNB C10H15NO4 Saturated 1st gen LIMO organic nitrate X X X X X
LIMO2H C10H18O3 Acid from LIMO X X X X
LIMO3 C10H17O3 Acylperoxy radical from LIMO X
LIMO3H C10H18O4 Peracid from LIMO X X X X
LIMPAN C10H17NO4 PAN from LIMO X X X X X
MEKCO3 C3H5O4 X
MEKPN C3H5NO6 MEK peroxyacetyl nitrate X X X X X
MYRCO C10H18O3 Aldehyde or ketone from myrcene X X X X
PHAN C2H3NO6 Peroxyhydroxyacetic nitric anhydride X X X X X
PIN C10H17NO4 Saturated 1st gen monoterpene organic nitrate X X X X X
PINAL C10H16O2 Pinonaldehyde X X X X
PINO3 C10H17O3 Acylperoxy radical from APIN X
PINO3H C10H18O4 Pinonic peracid X X X X
PINONIC C10H18O3 Pinonic acid X X X X
PINPAN C10H17NO4 PAN from pinonaldehyde X X X X X
R7N1 C7H15NO5 Peroxy radical from R7N2 X
R7N2 RO2NO C7 Lumped alkyl nitrate X X X X X
R7O2 C7H15O2 Peroxy radical from ALK7 X
R7P C7H16O2 Peroxide from R7O2 X X X X X
RNO3 RO2NO Lumped aromatic nitrate X X X X X
STYR Styrene X X
TLFUO2 C5H7O5 X
TLFUONE C5H6O2 Aromatic furanones X X X X
TMB C8H10 Trimethylbenzenes X
ZRO2 C7H9O5 RO2 for making lumped aromatic nitrate X

Species Changed

Green indicates feature added and red indicates feature removed.

Name Formula Fullname Advected Dry deposited Gas Photolyzed Wet deposited
PPN CH3CH2C(O)OONO2 Lumped peroxypropionyl nitrate X X X X X
RCOOH C2H5C(O)OH > C2 organic acids X X X X

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):
Compared to previous benchmark: 14.4.3
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): Aerosol thermodynamics, Aerosol Optics

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: 06:31 07:06
Memory 12.8 GB 42.0 GB
Global mean OH:
(% change from previous version) 		13.33666788319 x 105 molec/cm3
(-1.78%) 		13.32845877318 x 105 molec/cm3
(-1.78%)
Methyl chloroform lifetime:
(% change from previous version) 		4.670082 years
(3.22%) 		4.648456 years
(3.24%)
Methane lifetime:
(% change from previous version) 		7.884014 years
(3.37%) 		7.843387 years
(3.38%)
Details
Species, J-Values, and COLUMN AOD values that changed by 10% or more at the surface: GEOS-Chem Classic 14.4.3 vs 14.5.0 GCHP 14.4.3 vs 14.5.0
Species and J-Values that changed by 10% or more at 500 hPa: GEOS-Chem Classic 14.4.3 vs 14.5.0 GCHP 14.4.0 vs 14.5.0
Species and J-Values that changed by 10% or more in zonal mean: GEOS-Chem Classic 14.4.3 vs 14.5.0 GCHP 14.4.3 vs 14.5.0
Emissions that changed by 10% or more: GEOS-Chem Classic 14.4.3 vs 14.5.0 GCHP 14.4.3 vs 14.5.0
Overview
Below we summarize the notable changes caused by specific updates. See also the internal benchmark results which isolate impacts from specific updates.

1. Allow per-species definition of KPP absolute and relative solver tolerances; Set absolute tolerances of dummy species to large value

Also includes hotfix from PR #2363, merged up. Differences are at the level of numerical noise.

2. Fix bugs in PDER, OCPISOA and TotalOC in complexSOA

Mean OH changed by +0.11%. Very small changes in NO Fert, ship, and soil emissions (maybe due to PARANOx). Complex_SOA shows small increases in most locations, particularly off the coast of South America, over the Arabian peninsula, and at polar latitudes... but ratios are between 0.99 and 1.01. Column AOD for SOA increases everywhere but especially in the Pacific between Mexico and Hawaii... Maximum change is 1.05X. Total column AOD shows slight decreases (to 0.99X)

3. Pass non-zero Ca2, Mg, and K cations to HETP #2398

Mean OH increases by 0.45%. No change in emissions. O3 conc at sfc increases by up to ~1ppb. OH increases slightly at surface, most pronounced in tropical regions, up to 1e-6 molec/cm3. NOx at surface follows the OH pattern. Column AOD for SO4 show small increases (< 10%) near the equator and decreases at about 40S. Column AOD from ISOA shows small decreases by up to 0.005X over continents. All other column AOD changes are zero or negligible. Halogen zonal mean plots show small changes in general. Cly at surface decreases up to 15% over oceans with small increases over continents. Bry at surface shows ~10% decreases at 30-40S, with up to 10% increases in the tropics (esp. the E Pacific).

4. Add fixes for ALK4 and R4N2 chemistry from Brewer et al. (2023, JGR)

Mean OH increases by 0.16%. No changes in emissions. O3 at surface increases everywhere, especially over continents, max increase ~2ppb over China/SE Asia.OH at surface increases by up to 2% over boreal forests, sub-Saharan Africa, the Amazon, and SE Asia. Surface NOx patterns follow the OH. Column AODs show either zero or negligible changes. Primary and secondary organics at surface show negligble changes as well. Zonal means show no significant changes.

5. Merge GEOS-Chem 14.4.3 back into the 14.5.0 development branch #2425

Benchmark is zero-diff w/r/t the previous alpha benchmark.

6. Chemistry for RCOOH, monoterpenes, new PNs and ANs from Travis et al. (2024) #2318 and Add emission factors for ALK6, C4H6, EBZ, STYR, TMB emissions in GFED and FINN biomass burning #285

"Mean OH decreases by 0.31%. Most species show significant changes in global mass, especially the VOCs. J-values of most species show very slight increases. Emissions are unchanged except for: HCOOH (which now has a contribution from biomass burning), the new species added in this PR, and ALK4 (which now has had some emissions attributed to ALK6 etc.). NO and NO2 emissions increase along the coasts, probably due to PARANOX. Several primary organic species (MOH, ISOP, LIMO, BENZ, TOLU, XYLE) show slight increases over the Amazon, sub-Saharan Africa, and boreal forests. MTPA shows decreases over oceans where concentrations are small. but also slight increases over the continents. ALK4 concentrations show large decreases over SE asia and Nigeria and smaller changes over places where concentrations are small. Most secondary organic concentrations show very small differences except for SOAGX, which increases everywhere. Others follow the pattern of ISOP. Also note: alpha.6 is 15% slower due to the additional advected species that have been added.

7. Fix inconsistent pressure units in HEMCO standalone #284

This PR only affects the HEMCO standalone model and does not change the benchmark results.

8. Fix mass non-conservation in VDIFF PBL mixing

Mean OH decreases by -0.029%. Most species show a change in global mass of less than +/- 1%. The largest changes are in the sea salt alkalinity species, SALAAL and SALCAL. SALAAL shows up to 40% enhancement over continents; SALCAL shows increases from 10-100% over continents. This is driven by the fix in PBL mixing. Several aerosol species (BrSALC, ISALC, NITs, SO4s) show significant increases in zonal mean plots at the tropopause and free troposphere, also driven by the mixing fix.

9. Restore dry deposition output in GCHP & GCClassic fullchem benchmark simulations #2144

This is a zero-diff update that causes the DryDep collection to be archived by default in all fullchem benchmark simulations.

10. Adding PPN photolysis #2371

Mean OH increases by 0.5%. Most species show small changes in global mass of less that +/- 0.5% except for A3O2, OTHRO2, and PPN. PPN decreases in mass by 68%, due to this update. Emissions are unchanged. Negligible changes for O3, CO, NOx, and OH at surface and 500hPa, as well as for column AOD's. Time spent in photolysis increased by 20% from alpha.7, but not sure if this is due to just the PPN itself.

11. Update run scripts and environment files for NASA discover cluster

This update does not affect benchmark simulations.

12. Update GFED4_Climatology entries for period 2010-2023 with new species

This update introduces a new GFED climatology that now includes emissions for the species that were added in the Travis et al 2024 chemistry. The GFED climatology is not used or benchmark simulations, so this update will not affect the results of benchmark simulations.

13. Update Cloud-J submodule to v8.0.0 and Support for Cloud-J v8.0.0

Mean OH decreases by 0.2% PPN J-value diagnostic shows zero everywhere (?!), maybe a diagnostic issue. All J-values show negligible differences. OH at surface increases by up to 1ppb, especially in the ITCZ where H2O absorption may be relevant. CO at surface increases up to 3ppb, especially in and off the coast of W. Africa, with small decreases over the SE US and Amazon. OH at surface changes negligibly, and NOx at surface increases by about 0.1ppb or less over continents, especially in SE Asia. Most primary organics show small changes in zonal mean plots, At surface TOLU, XYLE, TMB, and similar species increase by up to 1.5X, with the greatest increases in the tropics.

14. Store aerosol-specific optics files in new Aerosol_Optics data directory #2426

This update moves several configuration files containing aerosol optical properties. It does not change benchmark results.

15. Use JVN_ as max not exact number of J-values Cloud-J

This update restores PPN photolysis only. Mean OH increased by 0.04%. Emissions are unchanged except for very slight differences in NO and O3 caused by PARANOx. Most species show a global mass change of +/- 0.5 or less, many species have diffs much less than that.

16. Bug fix: Reorder photo rxns for PNs and ANs (from PR #2318)

This update places PNs and ANs species in the proper order for FJX_j2j.dat. It also restores photolysis for these species (thanks to the fix in Cloud-J PR #26), which in previous alphas was zero. Mean OH increases by 0.022%. But the ANs and PNs show no difference in J-values. I believe it may have been because the FJX_j2j.dat with the 177 photo species may not have been updated properly. Thus this alpha only seems to show the contribution from PPN photolysis, which is very slight.

18. Update Is_Photolysis tags in species_database.yml to be consistent with Cloud-J file FJX_j2j.dat

The only difference is that the J-value diagnostics now contain the new species added in the Travis et al 2024 chemistry.

19. Bug fix: ALK6 in HEMCO_Config.rc should be ALK7

This update increases ALK7 concentrations over land by fixing a bug where ALK7 emissions were not actually included. This has the result of increasing surface ozone slightly. Global mean OH changed by -0.18%.

20. Updated soil NOx scheme from Yi Wang et al. (2021) as an option #2430

This update does not change benchmark results, as this scheme is currently disabled. We need to obtain a sufficient archive of the TSOIL1 met field before we can activate the new soil NOx scheme.

21. Fix dry mass fraction of sea salt in aerosol thermodynamics #2467

NH4, HMS, and ISALA increase slightly over oceans, while NIT, SALAAL, SALACL, SALCAL, SALCCL, and SO4s decrease slightly. Global mean OH changed by -0.36%.

22. Remove J-value diagnostics which are all zero #2464

This update removes species from the JValues collection that do not have an entry in the FJX_j2j.dat configuration file that is used for Cloud-J. Benchmark results are not affected otherwise.

23. Restore stale workflow (PRs in GCClassic, GCHP, geos-chem, HEMCO repos)

This PR only affects the GitHub "stale" action, which marks issues and PRs as stale after a certain period of time with no activity.

24. CH4 reservoir seasonality

This update only affects CH4 and carbon specialty simulations.

25. Bug fix for double counting CH4 agricultural burning emissions

This update only affects CH4 and carbon specialty simulations.

26. Fix a bug in coarse-mode seasalt Ca, Mg, and K

Large (> 10%) changes seen in many aerosol species including BrSALA, BrSALC, SALACL, SALCAL, SALCCL, NITs, SO4s Global mean OH changes by 0.61%.

27. Clean up CHANGELOG.md for 14.5.0 release #2490

This update does not change benchmark results.

28. Update to Cloud-J 8.0.1 release

This fixes a bug that caused Cloud-J to potentially skip reading species from the FJX_j2j.dat configuration file. It does not change benchmark results.

29. Use ALK6 species name for >= C6 alkanes instead of ALK7

This update renames the ALK7 species to ALK6 to be consistent with the nomenclature in Travis et al 2024. It does not change benchmark results.

29. GCHP carbon simulation fixes

This update only affects the GCHP carbon simulation. It does not change benchmark results.

1-month GEOS-Chem Classic version comparison (14.4.3 vs 14.5.0)

Below are links to plots and tables comparing 1-month simulations for GEOS-Chem Classic 14.5.0 (Dev) and GEOS-Chem Classic 14.4.3 (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
Timing GCClassic 14.4.3 vs 14.5.0

1-month GCHP version comparison (14.4.3 vs 14.5.0)

Below are links to plots and tables comparing 1-month simulations for GCHP 14.5.0 (Dev) and GCHP 14.4.3 (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

Metrics OH concentration, MCF lifetime, CH4 lifetime
Timing GCHP 14.4.3 vs 14.5.0

1-month GCHP vs GEOS-Chem Classic comparison

Below are links to plots and tables comparing 1-month simulations for GCHP 14.5.0 (Dev) and GEOS-Chem Classic 14.4.3 (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

Metrics OH concentration, MCF lifetime, CH4 lifetime

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

Below are links to plots and tables comparing 1-month simulations for GCHP 14.5.0 - 14.4.3 (Dev) and GEOS-Chem Classic GCHP 14.5.0 - 14.4.3 (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

1-year full-chemistry benchmarks

1-year fullchem benchmark setup

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

Git tag(s):
Compared to previous benchmark: 14.4.0-rc.0
Software environment: gcc 10.2.0
OpenMPI 4.1.0
netcdf-fortran 4.5.3
CMake 3.25.2
ESMF 8.4.2
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°
Spin-up initial conditions:
  • January 1, 2019 from 14.4.0 1-year benchmark
  • NOTE: GCHP c24 regridded from GEOS-Chem Classic 4° x 5°
Benchmark date: Spin-up run: Jul 2018 - Dec 2018
Production run: Jan 2019 - Dec 2019

1-year fullchem GEOS-Chem Classic version comparison (14.5.0 vs 14.4.0)

Below are links to plots and tables comparing 1-year full-chemistry simulations for GEOS-Chem Classic 14.5.0 (Dev) and GEOS-Chem Classic 14.4.0 (Ref).

Category1 Plots Additional Information
Level Map Zonal Mean Emissions
Oxidants

O3, CO, OH, NOx

Surface 500 hPa Full column Stratosphere Full column
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

Surface 500 hPa Full column Stratosphere Full column AOD

Aerosol profiles
Aerosol burdens
Global mean AOD

Bromine

Bry, BrOx, Br, Br2, BrCl, BrNO2, BrNO3, BrO, CH4Br, CH2Br2, CH2Br2, CH3Br3, HOBr, HBr

Surface 500 hPa Full column Stratosphere Full column
Chlorine

Cly, ClOx, Cl, ClO, Cl2, Cl2O2, ClOO, ClNO2, ClNO3, CCl4, CFCs, CH3Cl, CH2Cl2, CH4CCl3, HOCl, HCl, Halons, HCFCs, OClO

Surface 500 hPa Full column Stratosphere -
Iodine

Iy, IxOy, I, I2, IBr, ICl, IO, INO2, IONO2, CH3I, CH2I2, CH2ICl, CH2IBr, HI, HOI, OIO

Surface 500 hPa Full column Stratosphere Full column
Nitrogen

NOy, NOx, HNO2, HNO3, HNO4, MPAN, NIT, NO, NO2, NO3, N2O5, MPN, PAN, PPN, N2O, NHx, NH3, NH4, MENO3, ETNO3, IPRNO3, NPRNO3

Surface 500 hPa Full column Stratosphere Full column
Primary Organics

EOH, MOH, ISOP, MTPA, MTPO, LIMO, ALK4, BENZ, CH4, C2H6, C3H8, PRPE, TOLU, XYLE

Surface 500 hPa Full column Stratosphere Full column
Secondary Organics

ACTA, ALD2, CH2O, HPALDs, MACR, IEPOX, ACET, MEK, MVK, ISOPN, GLYX, HCOOH, MAP, RCHO, MP

Surface 500 hPa Full column Stratosphere Full column
Secondary Organic Aerosols

TSOA0, TSOA1, TSOA2, TSOA3, ASOA1, ASOA2, ASOA3, ASOAN, TSOG0, TSOG1, TSOG2, TSOG3, ASOG1, ASOG2, ASOG3, INDIOL, LVOCOA, SOAIE, SOAGX, SOAP, SOAS

Surface 500 hPa Full column Stratosphere Full column
Sulfur

SOx, DMS, OCS, SO2, SO4

Surface 500 hPa Full column Stratosphere Full column
ROy

H2O2, H, H2, H2O, HO2, O1D, OH, RO2

Surface 500 hPa Full column Stratosphere -
J-values Surface 500 hPa Full column Stratosphere -
Dry deposition velocities

ACET, HNO3, NH3, NH4, NIT, NITs, O3, SO4

Surface
 
Emissions by HEMCO category
Emission totals
Global mass
Metrics
Model vs Observations

1-year fullchem GCHP vs GEOS-Chem Classic comparison

Below are links to plots and tables comparing 1-year full-chemistry simulations for GCHP 14.5.0 (Dev) and GEOS-Chem Classic 14.5.0 (Ref).

Category1 Plots Additional Information
Level Map Zonal Mean Emissions
Oxidants

O3, CO, OH, NOx

Surface 500 hPa Full column Stratosphere Full column
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

Surface 500 hPa Full column Stratosphere Full column AOD

Aerosol profiles
Aerosol burdens
Global mean AOD

Bromine

Bry, BrOx, Br, Br2, BrCl, BrNO2, BrNO3, BrO, CH4Br, CH2Br2, CH2Br2, CH3Br3, HOBr, HBr

Surface 500 hPa Full column Stratosphere Full column
Chlorine

Cly, ClOx, Cl, ClO, Cl2, Cl2O2, ClOO, ClNO2, ClNO3, CCl4, CFCs, CH3Cl, CH2Cl2, CH4CCl3, HOCl, HCl, Halons, HCFCs, OClO

Surface 500 hPa Full column Stratosphere -
Iodine

Iy, IxOy, I, I2, IBr, ICl, IO, INO2, IONO2, CH3I, CH2I2, CH2ICl, CH2IBr, HI, HOI, OIO

Surface 500 hPa Full column Stratosphere Full column
Nitrogen

NOy, NOx, HNO2, HNO3, HNO4, MPAN, NIT, NO, NO2, NO3, N2O5, MPN, PAN, PPN, N2O, NHx, NH3, NH4, MENO3, ETNO3, IPRNO3, NPRNO3

Surface 500 hPa Full column Stratosphere Full column
Primary Organics

EOH, MOH, ISOP, MTPA, MTPO, LIMO, ALK4, BENZ, CH4, C2H6, C3H8, PRPE, TOLU, XYLE

Surface 500 hPa Full column Stratosphere Full column
Secondary Organics

ACTA, ALD2, CH2O, HPALDs, MACR, IEPOX, ACET, MEK, MVK, ISOPN, GLYX, HCOOH, MAP, RCHO, MP

Surface 500 hPa Full column Stratosphere Full column
Secondary Organic Aerosols

TSOA0, TSOA1, TSOA2, TSOA3, ASOA1, ASOA2, ASOA3, ASOAN, TSOG0, TSOG1, TSOG2, TSOG3, ASOG1, ASOG2, ASOG3, INDIOL, LVOCOA, SOAIE, SOAGX, SOAP, SOAS

Surface 500 hPa Full column Stratosphere Full column
Sulfur

SOx, DMS, OCS, SO2, SO4

Surface 500 hPa Full column Stratosphere Full column
ROy

H2O2, H, H2, H2O, HO2, O1D, OH, RO2

Surface 500 hPa Full column Stratosphere -
J-values Surface 500 hPa Full column Stratosphere -
Dry deposition velocities

ACET, HNO3, NH3, NH4, NIT, NITs, O3, SO4

Surface
 
Emissions by HEMCO category
Emission totals
Global mass
Metrics

rc.0/GCHP/FullChem/BenchmarkResults/GCHP_GCC_comparison/Tables/Ox_budget_troposphere_2019.txt Tropospheric Ox budget]

Model vs Observations

1-year fullchem GCHP version comparison (14.5.0 vs. 14.4.0)

Below are links to plots and tables comparing 1-year full-chemistry simulations for GCHP 14.5.0 (Dev) and GCHP 14.4.0 (Ref).

Category1 Plots Additional Information
Level Map Zonal Mean Emissions
Oxidants

O3, CO, OH, NOx

Surface 500 hPa Full column Stratosphere Full column
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

Surface 500 hPa Full column Stratosphere Full column AOD

Aerosol profiles
Aerosol burdens
Global mean AOD

Bromine

Bry, BrOx, Br, Br2, BrCl, BrNO2, BrNO3, BrO, CH4Br, CH2Br2, CH2Br2, CH3Br3, HOBr, HBr

Surface 500 hPa Full column Stratosphere Full column
Chlorine

Cly, ClOx, Cl, ClO, Cl2, Cl2O2, ClOO, ClNO2, ClNO3, CCl4, CFCs, CH3Cl, CH2Cl2, CH4CCl3, HOCl, HCl, Halons, HCFCs, OClO

Surface 500 hPa Full column Stratosphere -
Iodine

Iy, IxOy, I, I2, IBr, ICl, IO, INO2, IONO2, CH3I, CH2I2, CH2ICl, CH2IBr, HI, HOI, OIO

Surface 500 hPa Full column Stratosphere Full column
Nitrogen

NOy, NOx, HNO2, HNO3, HNO4, MPAN, NIT, NO, NO2, NO3, N2O5, MPN, PAN, PPN, N2O, NHx, NH3, NH4, MENO3, ETNO3, IPRNO3, NPRNO3

Surface 500 hPa Full column Stratosphere Full column
Primary Organics

EOH, MOH, ISOP, MTPA, MTPO, LIMO, ALK4, BENZ, CH4, C2H6, C3H8, PRPE, TOLU, XYLE

Surface 500 hPa Full column Stratosphere Full column
Secondary Organics

ACTA, ALD2, CH2O, HPALDs, MACR, IEPOX, ACET, MEK, MVK, ISOPN, GLYX, HCOOH, MAP, RCHO, MP

Surface 500 hPa Full column Stratosphere Full column
Secondary Organic Aerosols

TSOA0, TSOA1, TSOA2, TSOA3, ASOA1, ASOA2, ASOA3, ASOAN, TSOG0, TSOG1, TSOG2, TSOG3, ASOG1, ASOG2, ASOG3, INDIOL, LVOCOA, SOAIE, SOAGX, SOAP, SOAS

Surface 500 hPa Full column Stratosphere Full column
Sulfur

SOx, DMS, OCS, SO2, SO4

Surface 500 hPa Full column Stratosphere Full column
ROy

H2O2, H, H2, H2O, HO2, O1D, OH, RO2

Surface 500 hPa Full column Stratosphere -
J-values Surface 500 hPa Full column Stratosphere -
Dry deposition velocities

ACET, HNO3, NH3, NH4, NIT, NITs, O3, SO4

Surface
 
Emissions by HEMCO category
Emission totals
Global mass
Metrics
Model vs Observations

1-year fullchem GCHP vs GEOS-Chem Classic difference of differences

Below are links to plots and tables comparing 1-year full-chemistry simulations for GCHP 14.5.0 - 14.4.0 (Dev) and GEOS-Chem Classic 14.5.0 - 14.4.0 (Ref).

Category1 Plots
Level Map Zonal Mean
Oxidants

O3, CO, OH, NOx

Surface 500 hPa 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

Surface 500 hPa Full column Stratosphere
Bromine

Bry, BrOx, Br, Br2, BrCl, BrNO2, BrNO3, BrO, CH4Br, CH2Br2, CH2Br2, CH3Br3, HOBr, HBr

Surface 500 hPa Full column Stratosphere
Chlorine

Cly, ClOx, Cl, ClO, Cl2, Cl2O2, ClOO, ClNO2, ClNO3, CCl4, CFCs, CH3Cl, CH2Cl2, CH4CCl3, HOCl, HCl, Halons, HCFCs, OClO

Surface 500 hPa Full column Stratosphere
Iodine

Iy, IxOy, I, I2, IBr, ICl, IO, INO2, IONO2, CH3I, CH2I2, CH2ICl, CH2IBr, HI, HOI, OIO

Surface 500 hPa 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

Surface 500 hPa Full column Stratosphere
Primary Organics

EOH, MOH, ISOP, MTPA, MTPO, LIMO, ALK4, BENZ, CH4, C2H6, C3H8, PRPE, TOLU, XYLE

Surface 500 hPa Full column Stratosphere
Secondary Organics

ACTA, ALD2, CH2O, HPALDs, MACR, IEPOX, ACET, MEK, MVK, ISOPN, GLYX, HCOOH, MAP, RCHO, MP

Surface 500 hPa 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

Surface 500 hPa Full column Stratosphere
Sulfur

SOx, DMS, OCS, SO2, SO4

Surface 500 hPa Full column Stratosphere
ROy

H2O2, H, H2, H2O, HO2, O1D, OH, RO2

Surface 500 hPa Full column Stratosphere
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