GEOS-Chem 13.4.0: Difference between revisions

Revision as of 19:58, 1 March 2022

This page includes information about GEOS-Chem 13.4.0 (currently under development)

Version overview

The following items have been added to GEOS-Chem 13.4.0 since the last GEOS-Chem version GEOS-Chem 13.3.4. Also see the following Github pages:

Feature	Contributor(s)	Model scope	Notes and references
Updates that will affect full-chemistry benchmark simulations
Migrating sulfate chemistry into KPP	Mike Long (GCST) Viral Shah (Harvard) Bob Yantosca (GCST)	Chemistry & Structural	geoschem/geos-chem PR #1054
Fix bug in Henry law CALC_HEFF routine in hetchem computations	Viral Shah (Harvard)	Chemistry	geoschem/geos-chem PR #1042 geoschem/geos-chem #1001
Bug fix: Remove double-counting of HCl uptake on acidic sea salt	Viral Shah (Harvard)	Chemistry	geoschem/geos-chem PR #1041 geoschem/geos-chem #1034
Update surface resistance for ozone deposition to ice/snow	Ryan Pound (York) Shuting Zhai (UW)	Drydep	geoschem/geos-chem PR #1055 geoschem/geos-chem #997
Use updated definition of PM2.5; Add PM10 diagnostic	Bob Yantosca (GCST)	Diagnostics & Benchmarking	geoschem/geos-chem PR #992 Particulate Matter in GEOS-Chem (wiki)
Fix scale factors applied to VOC aircraft emissions in AEIC inventory	Flavio Quadros (TU Delft) Seb Eastham (GCST)	Emissions & Bug Fix	geoschem/geos-chem PR #1067 geoschem/geos-chem #915
Use degassing-only volcano emissions in GEOS-Chem benchmark simulations	Christoph Keller (GMAO) Daniel Jacob (Harvard)	Emissions & Benchmarking	geoschem/geos-chem #1005
Add option for driving GEOS-Chem with native GEOS meteorological files	Liam Bindle (GCST)	Structural	geoschem/geos-chem PR #945 geoschem/GCHP PR #164 geoschem/HEMCO PR #113
Updates that will NOT affect full-chemistry benchmark simulations
Updated Hg chemistry in KPP	Viral Shah (Harvard) Colin Thackray (Harvard) Mike Long (GCST) Bob Yantosca (GCST)	Chemistry	geoschem/geos-chem #1084 Validation is ongoing
Bug fix: Use REAL*8 precision in for CH3O2 + OH reaction definition in fullchem.eqn	Bob Yantosca (GCST)	Chemistry	geoschem/geos-chem #951 Zero-diff update
Updated Global Inventory of Methane Emissions from Oil/Gas/Coal (GFEI v2)	Tia Scarpelli (U. Edinburgh) Melissa Sulprizio (GCST)	Emissions	geoschem/geos-chem #1043 Reference: Scarpelli et al [2021], DOI: 10.5194/acp-2021-911
Anthropogenic Methane Emission Inventory for Canada	Tia Scarpelli (U. Edinburgh) Melissa Sulprizio (GCST)	Emissions	geoschem/geos-chem #1072 Reference: Scarpelli et al [2021], DOI: 10.1088/1748-9326/ac40b1
Use EDGARv6 global anthro emissions for CH4 simulation	Melissa Sulprizio (GCST)	Emissions	geoschem/geos-chem #1044 Link to EDGAR data
Updated Rn-222 emissions for TransportTracers simulations	Bo Zhang (NIA)	Emissions	geoschem/HEMCO #120 Existing Rn emissions will remain as an option
Retire HEMCO extension for CH4 wetland emissions	Melissa Sulprizio (GCST)	Emissions	geoschem/HEMCO #122 geoschem/HEMCO PR #124 geoschem/geos-chem PR #1073 Superseded by WETCHARTS emissions (CH4 simulation only)
Updates to enable automated run directory creation	Liam Bindle (GCST) Melissa Sulprizio (GCST)	Run directory	geoschem/geos-chem PR #459 Zero-diff update
Bug fix: Allow GEOS-Chem Classic History to archive irregular intervals (e.g. a month and a day)	Bob Yantosca (GCST)	Diagnostics	geoschem/geos-chem 1020 Zero-diff update
Updates for running GEOS-Chem within GEOS	Christoph Keller (GMAO) Lizzie Lundgren (GCST)	GEOS	geoschem/geos-chem PR 1102 geoschem/HEMCO PR 125 Zero-diff update
Updates that will only affect GCHP
Add capability to use mass fluxes in advection	Sebastian Eastham (MIT) Liam Bindle (GCST)	Advection	geoschem/GCHP PR #172
Switch advection to use total pressure (rather than dry)	Sebastian Eastham (MIT) Liam Bindle (GCST)	Advection	geoschem/GCHP PR #172
Add diagnostic for vertical air movement (vertical mass flux)	Liam Bindle (GCST)	Diagnostics	geoschem/GCHP PR #172
Define a GCHP "Default" diagnostic collection that will archive a small number of commonly-requested diagnostic fields	Liam Bindle (GCST)	Structural	geoschem/geos-chem PR #1008
Add capability to read native meteorological data files	Liam Bindle (GCST) Bob Yantosca (GCST)	Structural	geoschem/GCHP PR #165 GCHP only (minor changes to HEMCO, GC-Classic)
Fix communicators leak	Weiyuan Jiang (GSFC)	Bug fix	geoschem/GCHP Issue #187 geoschem/MAPL PR #19
Fix unintuitive error handling when untemplated file is missing	Sebastian Eastham (MIT)	Bug fix	geoschem/GCHP Issue #176 geoschem/MAPL #16
Fix incorrect output file timestamp with 24-hour duration and 1-hour frequency	Atanas Troyanov (GMAO)	Bug fix	geoschem/GCHP Issue #162

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	Needed for	What was added?	Directory
Updated CH4 anthropogenic emissions:	CH4 simulation and IMI only	GFEI v2.0 Scarpelli et al (2021) Canadian emissions EDGAR v6.0	`ExtData/HEMCO/CH4/v2022-01`
ZHANG_Rn222	TransportTracers simulations only	Updated Rn222 emissions for TransportTracers simulations. See Bo Zhang et al (2021)	`ExtData/HEMCO/ZHANG_Rn222/v2021-11`
Updated Hg simulation restart file	Hg simulations only	Sample restart file for the updated Hg mechanism. See Viral Shah et al (2021)	`ExtData/GEOSCHEM_RESTARTS/v2021-12`
Updated TOMAS simulation restart files	TOMAS simulations only	Added HSO3m and SO3mm species to TOMAS restart files	`ExtData/GEOSCHEM_RESTARTS/v2021-12`

Notes for viewing benchmark plots

Enable PDF bookmarks in the file links to navigate between species. If you do not see bookmarks in your browser try using a different browser (not Safari) or installing an Adobe Acrobat plug-in.
See the species database for species definitions and details.
Species categories and lumped species are defined in YAML files within the GEOS-Chem post-processing software GCPy.

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: 13.4.0-rc.0 GCHP: 13.4.0-rc.1 NOTE: 13.4.0-rc.1 corrects typos in the GCHP HEMCO_Config.rc fullchem template file that were present in 13.4.0-rc.0. This caused emission differences w/r/t GC-Classic 13.4.0-rc.0. Because this only affected GCHP, we did not return the GC-Classic benchmark. HEMCO: 3.4.0-rc.0
Compared to previous benchmark:	13.3.0
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: c48
Meteorology fields:	MERRA-2 GEOS-Chem Classic: 4° x 5° GCHP: 0.5° x 0.625°
Initial conditions:	July 1, 2019 NOTE: GCHP c48 restart file regridded from GEOS-Chem Classic 4° x 5°
Benchmark month:	July 2019
Emissions setup:	HEMCO_Config.rc
Chemistry setup:	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): Run directory creation scripts

1-month benchmark assessment form

Performance	GEOS-Chem Classic (rc.0)	GCHP (rc.2)
Grid resolution:	4° x 5°	C48
# CPUs, nodes:	48 CPUs 1 node (Intel Cascade Lake)	96 CPUs 2 nodes (Intel Cascade Lake)
Wall time:	03:37:13	06:02:38
CPU time / wall time:	31.79	95.31
% of ideal performance:	66.23%	97.3%
Memory:	11.4128 GB	106 GB
Global mean OH: (% change from previous version)	11.70790814279 x 10⁵ molec/cm3 (-0.329%)	11.63793080268 x 10⁵ molec/cm3 (-0.377%)
Methyl chloroform lifetime: (% change from previous version)	5.294530 years (+0.557%)	5.332938 years (+0.609%)
Methane lifetime: (% change from previous version)	8.923431 years (+0.581%)	8.988413 years (+0.632%)
Details
Species, J-Values, and COLUMN AOD values that changed by 10% or more at the surface:	GEOS-Chem Classic 13.4.0-rc.1 vs. 13.3.0-rc.0	GCHP 13.4.0-rc.2 vs. 13.3.0-rc.0
Species and J-Values that changed by 10% or more at 500 hPa:	GEOS-Chem Classic 13.4.0-rc.1 vs. 13.3.0-rc.0	GCHP 13.4.0-rc.2 vs. 13.3.0-rc.0
Species and J-Values that changed by 10% or more in zonal mean:	GEOS-Chem Classic 13.4.0-rc.1 vs. 13.3.0-rc.0	GCHP 13.4.0-rc.2 vs. 13.3.0-rc.0
Emissions that changed by 10% or more:	GEOS-Chem Classic 13.4.0-rc.1 vs. 13.3.0-rc.0	GCHP 13.4.0-rc.2 vs. 13.3.0-rc.0
Overview
Below we summarize the notable changes caused by specific updates. Supplementary plots may be viewed at http://ftp.as.harvard.edu/gcgrid/geos-chem/validation/InternalBenchmarks/13.4.0/. 1. Migrating sulfate chemistry into KPP An error in GEOS-Chem 13.3.0 meant that HMS chemistry was not properly implemented. This has now been fixed in 13.4.0-rc.0 (see this plot). Furthermore, this update causes the global tropospheric mass of BrO to increase by 11%: before after diff % diff BrO trop mass [Gg] : 9.543837 10.623180 1.079344 11.309 This increase (see plot) seems to be caused by the sulfur reactions on sea salt that were added to the KPP-generated chemical mechanism. The area of greatest change of BrO is at the surface southern extratropics, an area of high sea salt emissions. We are investigating further. Other changes in benchmark output related to this update are: Very small changes in OH Metrics (mean OH +0.0004%) Small changes in Oxidants concentrations. SO2 at surface decreases by ~10%. Large SO4 decreases (~50%) in the boreal forest regions of Canada & Russia. 2. Fix bug in Henry law CALC_HEFF routine in hetchem computations This update causes the global tropospheric mass of BrO to increase by 15%: before after diff % diff BrO trop mass [Gg} : 8.358857 9.663602 1.304745 15.609 Other changes in benchmark output related to this update are: Very small changes in the OH metrics (mean OH -0.0698%, MCF lifetime +0.10%; CH4 lifetime +0.05%) Small changes in Trop+Strat masses for most species. Cl/Br species concentrations have significant changes primarily in the extratropics. 3. Fix scale factors applied to VOC aircraft emissions in AEIC inventory The updated scale factors, which correct the conversion from atoms C to kg species, result in significant decreases in emissions for VOC species. This occurs mostly in the northern hemisphere and up to the lower stratosphere (where most aircraft emissions are placed). ################################################################################### ### Emissions totals for inventory AEIC [Tg] ### ### Ref = GCC_13.3.0-rc.1; Dev = GCC_13.4.0-rc.0 ### ################################################################################### Ref Dev Dev - Ref % diff AEIC ACET : 0.000139 0.000086 -0.000053 -38.027 AEIC ALD2 : 0.001829 0.000996 -0.000833 -45.529 AEIC ALK4 : 0.005617 0.004274 -0.001343 -23.912 AEIC C2H6 : 0.000152 0.000122 -0.000031 -20.213 AEIC C3H8 : 0.000022 0.000018 -0.000004 -18.386 AEIC MACR : 0.001827 0.000100 -0.001727 -94.522 AEIC PRPE : 0.004855 0.003779 -0.001076 -22.168 AEIC RCHO : 0.001384 0.003358 0.001974 142.621 However, this update resulted in minimal changes to global quantities, as VOC aircraft emissions are typically less than 1Gg for the simulation month. Other changes in benchmark output related to this update are: Very small changes in oxidants (too small to show up in ratio plots). Slight change in most primary organics, but % differences are of order 1e-4 or 1e-5. Some zonal mean plots show diffs at top of atm where conc's are already low. Mean OH decreased by -0.005%, CH4 and MCF increasd by +0.006%. Very small changes in mass for most species. 4. Bug fix: Remove double-counting of HCl uptake on acidic sea salt This update causes the global tropospheric mass of BrO to increase by 13%: before after diff % diff alpha.4 BrO : 7.354777 8.358857 1.004080 13.652 Other changes in benchmark output related to this update are: As expected, chlorine species concentrations decrease in the southern latitudes (esp. at about 40S), where there is more sea salt (and now less removal of HCl due to the bug fix). Some increase of Cl species concentrations at northern latitudes are observed. Cly concentrations generally increase. Very small chagnes in OH metrics as well (mean OH -0.03% change). 5. Update surface resistance for ozone deposition to ice/snow Barten et.al 2021 (https://doi.org/10.5194/acp-21-10229-2021) increased the surface resistance of ozone dry deposition to snow and ice to 1E4 s m−1, this results in a reduction of ozone deposition velocity to ice of <= 0.01 cm s−1 (~ 66% reduction) which has better agreement with observations and results in improved comparison between Ozone observations in the arctic. Changes in benchmark output related to this update are: Increase in O3 concentration at the summer polar latitudes (i.e. deposition to ice/snow is suppressed); Minor change in other oxidants; Neglible effect on OH metrics; Neglible change in species mass (O3 only increases by 0.01%). 6. HEMCO bug fix: restore archiving via manual diagnostics (which had been inadvertently disabled in a prior update) This update was added in 13.3.3 but does cause very slight changes in NOx soil and fertilizer emissions, as shown below. The HEMCO soil NOx extension uses an manual diagnostic to keep track of NOx from fertilizers. ################################################################################### ### Emissions totals for species NO [Tg] ### ### Ref = GCC_13.3.0-rc.1; Dev = GCC_13.4.0-rc.0 ### ################################################################################### Ref Dev Dev - Ref % diff NO Aircraft : 0.156922 0.156922 0.000000 0.000 NO Anthro : 5.327773 5.327773 0.000000 0.000 NO BioBurn : 1.882279 1.882279 0.000000 0.000 NO Fert : 0.359627 0.359458 -0.000169 -0.047 NO Lightning : 1.664984 1.664984 0.000000 0.000 NO Ship : 0.073301 0.074878 0.001577 2.152 NO Soil : 1.745616 1.745500 -0.000115 -0.007 ----------------------------------------------------------------------------------- NO Total : 10.850869 10.852331 0.001462 0.013 7. Use degassing-only volcano emissions in GEOS-Chem benchmark simulations Removing eruptive volcanoes from the benchmark simulations reduces the amount of SO2 emitted by 1%: ################################################################################### ### Emissions totals for species SO2 [Tg] ### ### Ref = GCC_13.3.0-rc.1; Dev = GCC_13.4.0-rc.0 ### ################################################################################### Ref Dev Dev - Ref % diff SO2 Aircraft : 0.019036 0.019036 0.000000 0.000 SO2 Anthro : 5.872509 5.872509 0.000000 0.000 SO2 BioBurn : 0.555350 0.555350 0.000000 0.000 SO2 Ship : 0.951114 0.951114 0.000000 0.000 SO2 VolcDegas : 1.826465 1.826465 0.000000 0.000 SO2 VolcErupt : 0.101063 0.000000 -0.101063 -100.000 ----------------------------------------------------------------------------------- SO2 Total : 9.325534 9.224471 -0.101063 -1.084 Other changes in benchmark output related to this update are: OH metrics show very small change; SO2 mass changes by -9%, SO4 by -4.6%, NIT by +4.3%, NH3 by +1.5%, NH4 by -1.1%. Some gas phase species show corresponding mass changes (e.g.ITCN & ITHN, +1.3%, KO2, -0.49%, MCHRN ; 5 S+0.8; Other species mass change typically by +/- 0.5%; Minor decreases in SOx concentration at surface observed over SA, Africa, Indonesia, Australia. 8. Add option for driving GEOS-Chem & GCHP with native GEOS meteorological files* Changes in benchmark output related to this update are: Very small changes in OH metrics (mean OH -0.007%, MCF lifetime +0.011%, CH4 lifetime +0.011%) Mostly small changes in species mass (typically less than +/- 1%), except for a few species such as ACET, ATO2, BrSALA, which are larger; Minor differences in species concentration in the polar regions due to the removal of ALBEDO as a proxy for snow/ice. The following were zero-difference updates: GCHP-specific updates: Define a GCHP "Default" collection that will archive a small number of commonly-requested diagnostic fields Add capability to use mass fluxes in advection CH4 simulation updates: Retire HEMCO extension for CH4 wetland emissions (now use WETCHARTS emissions instead) Updated Global Inventory of Methane Emissions from Oil/Gas/Coal (GFEI v2) Anthropogenic Methane Emission Inventory for Canada Use EDGARv6 global anthro emissions for CH4 simulation Hg simulation updates: Updated Hg chemistry (implemented as a KPP mechanism) TransportTracers simulation updates: Updated Rn-222 emissions for TransportTracers simulations Diagnostic updates: Bug fix: Allow GEOS-Chem Classic History to archive irregular intervals (e.g. a month and a day) Use updated definition of PM2.5; Add PM10 diagnostic Other updates: Updates to enable automated run directory creation Bug fix: Use REAL*8 precision in for CH3O2 + OH reaction definition in fullchem.eqn
Approval
Requires further investigation:
Approved by:
Date of approval:

1-month GEOS-Chem Classic version comparison (13.4.0-rc.0 vs 13.3.0-rc.1)

Below are links to plots and tables comparing 1-month simulations for GEOS-Chem Classic 13.4.0-rc.0 (Dev) and GEOS-Chem Classic 13.3.0-rc.1 (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 (13.4.0-rc.2 vs 13.3.0-rc.1)

Below are links to plots and tables comparing 1-month simulations for GCHP 13.4.0-rc.2 (Dev) and GCHP 13.3.0-rc.1 (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 (13.4.0-rc.2) vs. GEOS-Chem Classic (13.4.0-rc.0) comparison

Below are links to plots and tables comparing 1-month simulations for GCHP 13.4.0-rc.2 (Dev) and GEOS-Chem Classic 13.4.0-rc.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 13.4.0-rc.2 - 13.3.0-rc.1 (Dev) and GEOS-Chem Classic GCHP 13.4.0-rc.2 - 13.3.0-rc.1 (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 the GEOS-Chem Classic 1-year benchmark simulation.

Git tag(s):	13.4.0-rc.1
Compared to previous benchmark:	GEOS-Chem 13.3.0-rc.0
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:	4° x 5°
Meteorology fields:	MERRA-2 4° x 5°
Spin-up initial conditions:	July 1, 2019 from 13.3.0 1-year benchmark
Benchmark date:	Spin-up run: July 2018 - Dec 2018 Production run: Jan 2019 - Dec 2019

1-year fullchem GEOS-Chem Classic version comparison (13.4.0-rc.1 vs 13.3.0-rc.0)

Below are links to plots and tables comparing 1-year full-chemistry simulations for GEOS-Chem Classic 13.4.0 (Dev) and GEOS-Chem Classic 13.3.0 (Ref).

Category¹	Plots					Additional Information
	Level Map		Zonal Mean		Emissions
Oxidants O3, CO, OH, NOx	Surface Jan Apr Jul Oct	500 hPa Jan Apr Jul Oct	Full column Jan Apr Jul Oct	Stratosphere Jan Apr Jul Oct	Full column Jan Apr Jul Oct
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 Jan Apr Jul Oct	500 hPa Jan Apr Jul Oct	Full column Jan Apr Jul Oct	Stratosphere Jan Apr Jul Oct	Full column Jan Apr Jul Oct	AOD Jan Apr Jul Oct Aerosol profiles Aerosol burdens Global mean AOD
Bromine Bry, BrOx, Br, Br2, BrCl, BrNO2, BrNO3, BrO, CH4Br, CH2Br2, CH2Br2, CH3Br3, HOBr, HBr	Surface Jan Apr Jul Oct	500 hPa Jan Apr Jul Oct	Full column Jan Apr Jul Oct	Stratosphere Jan Apr Jul Oct	Full column Jan Apr Jul Oct
Chlorine Cly, ClOx, Cl, ClO, Cl2, Cl2O2, ClOO, ClNO2, ClNO3, CCl4, CFCs, CH3Cl, CH2Cl2, CH4CCl3, HOCl, HCl, Halons, HCFCs, OClO	Surface Jan Apr Jul Oct	500 hPa Jan Apr Jul Oct	Full column Jan Apr Jul Oct	Stratosphere Jan Apr Jul Oct	-
Iodine Iy, IxOy, I, I2, IBr, ICl, IO, INO2, IONO2, CH3I, CH2I2, CH2ICl, CH2IBr, HI, HOI, OIO	Surface Jan Apr Jul Oct	500 hPa Jan Apr Jul Oct	Full column Jan Apr Jul Oct	Stratosphere Jan Apr Jul Oct	Full column Jan Apr Jul Oct
Nitrogen NOy, NOx, HNO2, HNO3, HNO4, MPAN, NIT, NO, NO2, NO3, N2O5, MPN, PAN, PPN, N2O, NHx, NH3, NH4, MENO3, ETNO3, IPRNO3, NPRNO3	Surface Jan Apr Jul Oct	500 hPa Jan Apr Jul Oct	Full column Jan Apr Jul Oct	Stratosphere Jan Apr Jul Oct	Full column Jan Apr Jul Oct
Primary Organics EOH, MOH, ISOP, MTPA, MTPO, LIMO, ALK4, BENZ, CH4, C2H6, C3H8, PRPE, TOLU, XYLE	Surface Jan Apr Jul Oct	500 hPa Jan Apr Jul Oct	Full column Jan Apr Jul Oct	Stratosphere Jan Apr Jul Oct	Full column Jan Apr Jul Oct
Secondary Organics ACTA, ALD2, CH2O, HPALDs, MACR, IEPOX, ACET, MEK, MVK, ISOPN, GLYX, HCOOH, MAP, RCHO, MP	Surface Jan Apr Jul Oct	500 hPa Jan Apr Jul Oct	Full column Jan Apr Jul Oct	Stratosphere Jan Apr Jul Oct	Full column Jan Apr Jul Oct
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 Jan Apr Jul Oct	500 hPa Jan Apr Jul Oct	Full column Jan Apr Jul Oct	Stratosphere Jan Apr Jul Oct	Full column Jan Apr Jul Oct
Sulfur SOx, DMS, OCS, SO2, SO4	Surface Jan Apr Jul Oct	500 hPa Jan Apr Jul Oct	Full column Jan Apr Jul Oct	Stratosphere Jan Apr Jul Oct	Full column Jan Apr Jul Oct
ROy H2O2, H, H2, H2O, HO2, O1D, OH, RO2	Surface Jan Apr Jul Oct	500 hPa Jan Apr Jul Oct	Full column Jan Apr Jul Oct	Stratosphere Jan Apr Jul Oct	-
J-values	Surface Jan Apr Jul Oct	500 hPa Jan Apr Jul Oct	Full column Jan Apr Jul Oct	Stratosphere Jan Apr Jul Oct	-

Emissions by HEMCO category	Total: Jan, Apr, Jul, Oct Aircraft: Jan, Apr, Jul, Oct Anthropogenic: Jan, Apr, Jul, Oct Biomass burning: Jan, Apr, Jul, Oct Biogenic: Jan, Apr, Jul, Oct Lightning: Jan, Apr, Jul, Oct Natural: Jan, Apr, Jul, Oct Ocean: Jan, Apr, Jul, Oct Plant decay:Jan, Apr, Jul, Oct Sea birds: Jan, Apr, Jul, Oct Ship: Jan, Apr, Jul, Oct Soil: Jan, Apr, Jul, Oct Volcano degassing: Jan, Apr, Jul, Oct Volcano erupting: Jan, Apr, Jul, Oct
Emission totals	Tables by species Tables by inventory
Global mass	Entire atmosphere: Jan, Apr, Jul, Oct Troposphere only: Jan, Apr, Jul, Oct
Metrics	OH concentration, MCF lifetime, CH4 lifetime
Strat-trop exchange	Monthly and annual mean values
Model vs Observations	Aerosols: Seasonal plots, Scatter plots Aircraft: C2H6, C3H8, CO, H2O2, HNO3, NO, O3, PAN CO: Profiles, Latitudal distribution, Ships, Seasonal plots (Surface, MOZAIC 4 levels) O3: Profiles (GMI, MOZAIC), Seasonal plots (Surface, GMI 3 levels, GMI 4 levels, MOZAIC 3 levels, MOZAIC 4 levels) PAN: Profiles PM2.5 with simple SOA: Maps, Scatter plots PM2.5 with complex SOA: Maps, Scatter plots

1-year transport tracers benchmarks

1-year transport benchmark setup

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

Git tag(s):	GEOS-Chem Classic: 13.4.0-rc.1
Compared to previous benchmark:	13.2.0-beta.0
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:	4° x 5°
Meteorology fields:	MERRA-2 4° x 5°
Spin-up initial conditions:	January 1, 2019 from GEOS-Chem 13.0.0 1-year transport tracer benchmark
Benchmark date:	Spinup run: Jan 2010 - Dec 2018 Production run: Jan 2019 - Dec 2019

1-year transport GEOS-Chem Classic version comparison (13.4.0-rc.1 vs 13.2.0-beta.0)

This table contains plots comparing 1-year transport tracer simulations for GEOS-Chem Classic 13.4.0-rc.1 (Dev) and GEOS-Chem Classic 13.2.0-beta.1 (Ref).

Category¹	Plots
	Level Map		Zonal Mean
RnPbBeTracers Rn222, Pb210, Pb210Strat, Be7, Be7Strat, Be10, Be10Strat	Surface Jan Apr Jul Oct Mean	500 hPa Jan Apr Jul Oct Mean	Full column Jan Apr Jul Oct Mean	Stratosphere Jan Apr Jul Oct Mean
PassiveTracers PassiveTracer, SF6Tracer, CH3ITracer, COAnthroEmis25dayTracer, COAnthroEmis50dayTracer, COUniformEmis25dayTracer, GlobEmis90dayTracer, NHEmis90dayTracer, SHEmis90dayTrace	Surface Jan Apr Jul Oct Mean	500 hPa Jan Apr Jul Oct Mean	Full column Jan Apr Jul Oct Mean	Stratosphere Jan Apr Jul Oct Mean
WetLossConv Pb210, Pb210Strat, Be7, Be7Strat, Be10, Be10Strat	Surface Jan Apr Jul Oct Mean	500 hPa Jan Apr Jul Oct Mean	Full column Jan Apr Jul Oct Mean	Stratosphere Jan Apr Jul Oct Mean
WetLossLS Pb210, Pb210Strat, Be7, Be7Strat, Be10, Be10Strat	Surface Jan Apr Jul Oct Mean	500 hPa Jan Apr Jul Oct Mean	Full column Jan Apr Jul Oct Mean	Stratosphere Jan Apr Jul Oct Mean

Pb-Be Budgets	GEOS-Chem 13.2.0-beta.0 (Ref): Troposphere Stratosphere Troposphere + Stratosphere		GEOS-Chem 13.4.0-rc.1 (Dev): Troposphere Stratosphere Troposphere + Stratosphere
Strat-trop exchange	GEOS-Chem 13.2.0-beta.0 (Ref): Monthly and annual mean values		GEOS-Chem 13.4.0-rc.1(Dev): Monthly and annual mean values
Mass conservation	Passive tracer

@@ Line 207: / Line 207: @@
 *[https://github.com/geoschem/GCHP/issues/165 geoschem/GCHP PR #165]
 *GCHP only (minor changes to HEMCO, GC-Classic)
+|-valign="top"
+|Fix communicators leak
+|Weiyuan Jiang (GSFC)
+|Bug fix
+|
+*[https://github.com/geoschem/GCHP/issues/187 geoschem/GCHP Issue #187]
+*[https://github.com/geoschem/MAPL/pull/19 geoschem/MAPL PR #19]
+|-valign="top"
+|Fix unintuitive error handling when untemplated file is missing
+|Sebastian Eastham (MIT)
+|Bug fix
+|
+*[https://github.com/geoschem/GCHP/issues/176 geoschem/GCHP Issue #176]
+*[https://github.com/geoschem/MAPL/pull/16 geoschem/MAPL #16]
+|-valign="top"
+|Fix incorrect output file timestamp with 24-hour duration and 1-hour frequency
+|Atanas Troyanov (GMAO)
+|Bug fix
+|
+*[https://github.com/geoschem/GCHP/issues/162 geoschem/GCHP Issue #162]
 |}

GEOS-Chem 13.4.0: Difference between revisions

Revision as of 19:58, 1 March 2022

Contents

Version overview

New data directories

Notes for viewing benchmark plots

1-month full-chemistry benchmarks

1-month benchmark setup

1-month benchmark assessment form

1-month GEOS-Chem Classic version comparison (13.4.0-rc.0 vs 13.3.0-rc.1)

1-month GCHP version comparison (13.4.0-rc.2 vs 13.3.0-rc.1)

1-month GCHP (13.4.0-rc.2) vs. GEOS-Chem Classic (13.4.0-rc.0) comparison

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

1-year full-chemistry benchmarks

1-year fullchem benchmark setup

1-year fullchem GEOS-Chem Classic version comparison (13.4.0-rc.1 vs 13.3.0-rc.0)

1-year transport tracers benchmarks

1-year transport benchmark setup

1-year transport GEOS-Chem Classic version comparison (13.4.0-rc.1 vs 13.2.0-beta.0)

Navigation menu

GEOS-Chem 13.4.0: Difference between revisions

Revision as of 19:58, 1 March 2022

Version overview

New data directories

Notes for viewing benchmark plots

1-month full-chemistry benchmarks

1-month benchmark setup

1-month benchmark assessment form

1-month GEOS-Chem Classic version comparison (13.4.0-rc.0 vs 13.3.0-rc.1)

1-month GCHP version comparison (13.4.0-rc.2 vs 13.3.0-rc.1)

1-month GCHP (13.4.0-rc.2) vs. GEOS-Chem Classic (13.4.0-rc.0) comparison

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

1-year full-chemistry benchmarks

1-year fullchem benchmark setup

1-year fullchem GEOS-Chem Classic version comparison (13.4.0-rc.1 vs 13.3.0-rc.0)

1-year transport tracers benchmarks

1-year transport benchmark setup

1-year transport GEOS-Chem Classic version comparison (13.4.0-rc.1 vs 13.2.0-beta.0)

Navigation menu

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