GEOS-Chem 14.1.0

From Geos-chem
Jump to: navigation, search

GEOS-Chem Versions Page

This page includes information about GEOS-Chem 14.1.0. The GEOS-Chem model development priorities page lists additional developments that may be added.

Version overview

This version is currently in development

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
Add MO2 + NO3 reaction Kelvin Bates (Harvard) Chemistry
Revision to a rate constant for the C2H4 scheme Kelvin Bates (Harvard) Chemistry
Fix product in HOBr/Cl + S(IV) reactions Xuan Wang (CUHK) Chemistry
Fix molecular weight of CH4 Xueying Yu (UMN) Chemistry
Bug fix in computing IsLand, IsWater, IsOcean, IsIce Lizzie Lundgren (Harvard) Chemistry
Bug fix: Treat SO4s and NITs as coarse aerosol in wet scavenging Mike Long (GMAO)
Christoph Keller (GMAO)
Becky Alexander (UW)
Wetdep
Fix double-titration of seasalt alkalinity Becky Alexander (UW)
Hansen Cao (UW)
Mike Long (GMAO)
Mat Evans (York)
Fullchem simulations
Retire land-water-ice (LWI) input field Lizzie Lundgren (Harvard) Met fields
Updates that will NOT affect full-chemistry benchmark simulations
HTAPv3 at 0.1 deg Dandan Zhang (WashU) Emissions
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
AMAP 2015 emissions from GMA2018 Helene Angot(MIT)
Ari Feinberg (MIT)
Noelle Selin (MIT)
Hg simulation
Add carbon simulation (CO2-CO-CH4-OCS) via KPP Beata Bukosa (NIWA)
Kevin Bowman (JPL)
Mike Long (Harvard)
Specialty simulation
Add gfortran compiler switches to turn on code sanitization, which checks for memory leaks Bob Yantosca (Harvard) Structural
Add capability to write metadata for defined species to a YAML file Bob Yantosca (Harvard) Structural
Output satellite diagnostics as NetCDF Joshua Shutter (UMN)
Eloise Marais (UCL)
Bob Yantosca (Harvard)
Diagnostics
Add new species concentration diagnostic in units of molec/cm3 Haipeng Lin (Harvard) Diagnostics
RO2 diagnostic Melissa Sulprizio (Harvard) Diagnostics
Change time-averaged diagnostic timestamps from mid-point to start time Bob Yantosca (Harvard) Diagnostic
Fix timecycle flag for QFED and OFFLINE emissions in HEMCO_Config.rc Charley Fite (FSU) Emissions
Structural updates to facilitate coupling GEOS-Chem to CESM: Haipeng Lin (Harvard) CESM-GC
Structural
Fix complex SOA definition in error check Haipeng Lin (Harvard) ComplexSOA
Updates that will only affect GCHP
Update MAPL from v2.18.3 to v2.26.0 Lizzie Lundgren (Harvard) GCHP
GMAO libraries
Fix missing value handling in HEMCO for GCHP and GEOS Lizzie Lundgren (Harvard) HEMCO
Improve MAPL error handling of corrupted input files Lizzie Lundgren (Harvard) MAPL
Fix bug where GCHP fraction snow is all zeroes Lizzie Lundgren (Harvard) Met fields
Tagged O3 simulation in GCHP Xingpei Yu (PKU)
Jourdan He (WashU)
TagO3 simulation
GCHP diagnostic bug fixes: Melissa Sulprizio (Harvard)
Lizzie Lundgren (Harvard)
Diagnostics
Add GCHP upward mass flux diagnostic to HISTORY.rc Lizzie Lundgren (Harvard) Diagnostics
Add GCHP operational example run scripts (MIT, York, NCI) Sebastian Eastham (MIT)
Killian Murphy (York)
Jenny Fisher (U. Wollongong)
Run directory

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):
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 14.0.0 vs 13.4.0 GCHP 14.0.0 vs 13.4.0
Species and J-Values that changed by 10% or more at 500 hPa: GEOS-Chem Classic 14.0.0 vs 13.4.0 GCHP 14.0.0 vs 13.4.0
Species and J-Values that changed by 10% or more in zonal mean: GEOS-Chem Classic 14.0.0 vs 13.4.0 GCHP 14.0.0 vs 13.4.0
Emissions that changed by 10% or more: GEOS-Chem Classic 14.0.0 vs 13.4.0 GCHP 14.0.0 vs 13.4.0
Overview
Below we summarize the notable changes caused by specific updates. See also the internal benchmark results which isolate impacts from specific updates.

1. 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