geoschem/geos-chem: GEOS-Chem 14.1.0

Release date: 01 Feb 2023

This is a minor version release featuring the updates listed below.

• Added dry deposition updates to Hg0 from Feinberg22 ESPI publication + AMAP emissions
• Added MO2 + NO3 = NO2 + CH2O + HO2 reaction
• Added capability to write species metadata to YAML file
• Added satellite diagnostic (SatDiagn) collection, to archive several fields within a user-defined local-time interval. CAVEAT: For now, only one local-time interval is permitted.
• Added adaptive solver (rosenbrock_autoreduce) option for fullchem mechanism
• Added entries for BALD, BENZP, BZCO3H, NPHEN to JValues collection in HISTORY.rc for GCHP
• Added GCHP run script and environment files for MIT clusters Hex and Svante
• Added operational GCHP and GCClassic environment and run scripts for the University of York cluster, Viking
• Added tagO3 run directory for GCHP
• Added upwards mass flux diagnostic to GCHP History collection LevelEdgeDiags
• Added timestep menu to GCHP geoschem_config.yml template files
• Added HTAPv3 inventory as a global emissions option (off by default)
• Added carbon simulation and KPP mechanism for CO-CO2-CH4-OCS
• Added GCHP run script and environment file for UCI Australia cluster Gadi

• Moved in-module variables in global_ch4_mod.F90 to State_Chm
• Moved in-module variables in hco_interface_gc_mod.F90 to State_Met and State_Chm
• Modified SpeciesConc diagnostic to include option to output units in v/v or molec/cm3
• Rebuilt fullchem and Hg mechanisms with KPP 3.0.0
• Changed HEMCO timecycle flag for QFED and offline emissions from EF to EFY
• Updated the time refresh settings for O3_PROD and O3_LOSS in ExtData.rc.tagO3 to read data on the first of each month.

• Fixed sign of Arrhenius "A" coefficient in reaction ETO = HO2 + 2CH2O
• Fixed products in HOBr + SO2 and HOCl + SO2 reactions
• Changed MW_g value of CH4 from 16.05 to 16.04
• Added "WD_CoarseAer:true" for SO4s and NITs in species_database.yml
• Fixed bug in computing State_Met surface type logicals (IsLand, IsWater, etc)
• Fixed bug where State_Met%FRSNO (fraction snow) was all zeros in GCHP
• Fixed HCFC141b and HCFC142b names in GCHP HISTORY.rc
• Fixed list of complex SOA species checked in input_mod.F90
• Now use a string array for reading the list of ObsPack diagnostic species (in GeosCore/input_mod.F90)
• Fixed bug in logic that caused restart files not to be linked to the Restarts/ folder of the GCHP tagO3 run directory
• Fixed timestamp for GCClassic History diagnostic so time-averaged collections match the reference time
• Fixed double-titration of seasalt alkalinity

• Removed LRED_JNO2 and AERO_HG2_PARTITON switches from HEMCO_Config.rc (and related code)

See the GEOS-Chem 14.1.0 page for a complete list of updates.

• Adding in dry deposition updates to Hg0 from Feinberg22 ESPI publication + AMAP emissions by @arifein in https://github.com/geoschem/geos-chem/pull/1367
• Add MO2 + NO3 = NO2 + CH2O + HO2 reaction via KPP by @yantosca in https://github.com/geoschem/geos-chem/pull/1444
• Bug fix: Change sign of Arrhenius "A" coefficient in rxn ETO = HO2 + 2CH2O by @yantosca in https://github.com/geoschem/geos-chem/pull/1447
• Bug fix: HOBr + SO2 and HOCl +SO2 now produce SO4 instead of SO4s; Closes #1298 by @yantosca in https://github.com/geoschem/geos-chem/pull/1448
• Update MW_g value of CH4 from 16.05 to 16.04 by @yantosca in https://github.com/geoschem/geos-chem/pull/1445
• Add "WD_CoarseAer:true" for SO4s and NITs in species_database.yml by @yantosca in https://github.com/geoschem/geos-chem/pull/1426
• Fix bug in computing State_Met fields IsLand, IsWater, IsOcean, IsIce by @lizziel in https://github.com/geoschem/geos-chem/pull/1425
• Add capability to write metadata for defined species to a YAML file by @yantosca in https://github.com/geoschem/geos-chem/pull/1316
• Move in-module variables in GLOBAL_CH4_MOD to State_Chm by @jimmielin in https://github.com/geoschem/geos-chem/pull/1407
• GEOS-Chem Classic netCDF satellite diagnostics (supersedes PR #1134) by @yantosca in https://github.com/geoschem/geos-chem/pull/1478
• Removes HCO_Interface_GC_Mod module variables SZAFACT, JNO2, JOH by @jimmielin in https://github.com/geoschem/geos-chem/pull/1348
• Add MAPL ExtData format option required in MAPL 2.26.0 by @lizziel in https://github.com/geoschem/geos-chem/pull/1489
• Add capability to save SpeciesConc diagnostic in units v/v or molec/cm3 by @msulprizio in https://github.com/geoschem/geos-chem/pull/1572
• KPP 3.0.0 with auto-reduction solver by @yantosca in https://github.com/geoschem/geos-chem/pull/1482
• Retire LWI met-field by @lizziel in https://github.com/geoschem/geos-chem/pull/1435
• Fix GCHP bug where fraction snow all zeros by @lizziel in https://github.com/geoschem/geos-chem/pull/1577
• Add missing J-value diagnostics to GCHP HISTORY.rc by @msulprizio in https://github.com/geoschem/geos-chem/pull/1582
• Fix bug in GCHP HISTORY.rc names for HCFCs by @lizziel in https://github.com/geoschem/geos-chem/pull/1590
• Fix list of Complex SOA species checked in input_mod.F90 by @jimmielin in https://github.com/geoschem/geos-chem/pull/1546
• Add GCHP operational scripts for UoY by @kilicomu in https://github.com/geoschem/geos-chem/pull/1570
• Add GCHP operational run scripts for MIT clusters by @lizziel in https://github.com/geoschem/geos-chem/pull/1571
• Add GC-Classic operational scripts for York by @kilicomu in https://github.com/geoschem/geos-chem/pull/1592
• Add tagged O3 run directory for GCHP by @Jourdan-He in https://github.com/geoschem/geos-chem/pull/1380
• Fix parsing error for ObsPack diagnostic species in input_mod.F90 -- Closes #1542 by @yantosca in https://github.com/geoschem/geos-chem/pull/1554
• Add GCHP upwards mass flux diagnostic to config files by @lizziel in https://github.com/geoschem/geos-chem/pull/1584
• Remove LRED_JNO2 and AERO_HG2_PARTITION switches and related code by @yantosca in https://github.com/geoschem/geos-chem/pull/1588
• Fix typos and add explanatory comments for Hg simulation emissions by @jennyfisher in https://github.com/geoschem/geos-chem/pull/1591
• Add timestep menu back to GCHP geoschem_config.yml templates by @yantosca in https://github.com/geoschem/geos-chem/pull/1589
• Fix timecycle flag for QFED and OFFLINE emissions in HEMCO_Config.rc by @msulprizio in https://github.com/geoschem/geos-chem/pull/1595
• Add HTAPv3 inventory as a global emissions option by @yantosca in https://github.com/geoschem/geos-chem/pull/1551
• Fix logic error in GCHP createRunDir.sh for tagO3 simulation by @yantosca in https://github.com/geoschem/geos-chem/pull/1597
• Time-averaged file timestamp changed from averaging period mid-point to start by @yantosca in https://github.com/geoschem/geos-chem/pull/1600
• Add fixes for minor issues in the GCHP tagO3 simulation by @yantosca in https://github.com/geoschem/geos-chem/pull/1601
• Fix double-titration of seasalt alkalinity error -- Closes #1506 by @yantosca in https://github.com/geoschem/geos-chem/pull/1521
• Add GCHP operational run files for NCI Australia cluster Gadi by @lizziel in https://github.com/geoschem/geos-chem/pull/1615
• Add carbon simulation and KPP mechanism by @msulprizio in https://github.com/geoschem/geos-chem/pull/1605
• Change Harvard Cannon "huce_cascade" partition name to "seas_compute" in sample run scripts by @yantosca in https://github.com/geoschem/geos-chem/pull/1611
• Bug fix: Rename GCHP operational run script example directory for Australia's NCI Gadi cluster by @msulprizio in https://github.com/geoschem/geos-chem/pull/1619

• @arifein made their first contribution in https://github.com/geoschem/geos-chem/pull/1367
• @kilicomu made their first contribution in https://github.com/geoschem/geos-chem/pull/1570
• @jennyfisher made their first contribution in https://github.com/geoschem/geos-chem/pull/1591

Full Changelog: https://github.com/geoschem/geos-chem/compare/14.0.2...14.1.0