geoschem/geos-chem: GEOS-Chem 14.1.0

Release date: 01 Feb 2023 This is a minor version release featuring the updates listed below. From CHANGELOG.md Added 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 Changed 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 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 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. What's Changed 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 New Contributors @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.