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Turn off the MEGAN extension for fullchem "non-benchmark" simulations #2372

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merged 2 commits into from
Jul 12, 2024

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yantosca
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Name: Bob Yantosca
Institution: Harvard + GCST

Describe the update

This is the companion PR to #2319. We have updated the run directory creation scripts and HEMCO_Config.rc template files so that the MEGAN emissions are enabled for the full-chemistry "benchmark" simulation and disabled for all other full-chemistry simulations.

Expected changes

This should be a zero-diff update

Related Github Issue

This commit addresses the issue raised in geos-chem #2319.  We have
now updated the following files so that only the "benchmark" fullchem
simulation uses the MEGAN extension, while other "standard" simulations
use the offline emissions.

run/GCClassic/HEMCO_Config.rc.templates/HEMCO_Config.rc.aerosol
run/GCClassic/HEMCO_Config.rc.templates/HEMCO_Config.rc.fullchem
run/GCHP/HEMCO_Config.rc.templates/HEMCO_Config.rc.aerosol
- Replace "on" with ${RUNDIR_MEGAN_EXT} to toggle the MEGAN extension
  on or off based on the options given to createRunDir.sh.

run/GCClassic/createRunDir.sh
run/GCHP/createRunDir.sh
- Set RUNDIR_MEGAN_EXT='off' for the aerosol-only simulation
- Set RUNDIR_MEGAN_EXT='off' for the fullchem non-benchmark simulations
- Set RUNDIR_MEGAN_EXT='on'  for the fullchem benchmark simulation

CHANGELOG.md
- Updated accordingly

Signed-off-by: Bob Yantosca <[email protected]>
@yantosca yantosca added topic: Configuration Files Related to GEOS-Chem configuration files no-diff-to-benchmark This update will not change the results of fullchem benchmark simulations category: Bug Fix Fixes a previously-reported bug topic: Run Directories Related to run directory issues and run directory creation labels Jul 11, 2024
@yantosca yantosca added this to the 14.4.2 milestone Jul 11, 2024
@yantosca yantosca self-assigned this Jul 11, 2024
@yantosca yantosca changed the base branch from main to dev/no-diff-to-benchmark July 11, 2024 15:29
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yantosca commented Jul 11, 2024

I created run directories for the GEOS-Chem Classic aerosol-only and fullchem simulations. The MEGAN emissions are only turned on in the benchmark simulation.

$ g "108     MEGAN" */HEMCO_Config.rc
aer_only/HEMCO_Config.rc:174:           108     MEGAN                  : off    ISOP/ACET/PRPE/C2H4/ALD2/MOH/EOH/MTPA/MTPO/LIMO/SESQ/SOAP/SOAS
fullchem_apm/HEMCO_Config.rc:197:       108     MEGAN                  : off    ISOP/ACET/PRPE/C2H4/ALD2/MOH/EOH/MTPA/MTPO/LIMO/SESQ/SOAP/SOAS
fullchem_benchmark/HEMCO_Config.rc:197: 108     MEGAN                  : on     ISOP/ACET/PRPE/C2H4/ALD2/MOH/EOH/MTPA/MTPO/LIMO/SESQ/SOAP/SOAS
fullchem_csoa/HEMCO_Config.rc:197:      108     MEGAN                  : off    ISOP/ACET/PRPE/C2H4/ALD2/MOH/EOH/MTPA/MTPO/LIMO/SESQ/SOAP/SOAS
fullchem_csoasvpoa/HEMCO_Config.rc:197: 108     MEGAN                  : off    ISOP/ACET/PRPE/C2H4/ALD2/MOH/EOH/MTPA/MTPO/LIMO/SESQ/SOAP/SOAS
fullchem_mpoa/HEMCO_Config.rc:197:      108     MEGAN                  : off    ISOP/ACET/PRPE/C2H4/ALD2/MOH/EOH/MTPA/MTPO/LIMO/SESQ/SOAP/SOAS
fullchem_rrtmg/HEMCO_Config.rc:197:     108     MEGAN                  : off    ISOP/ACET/PRPE/C2H4/ALD2/MOH/EOH/MTPA/MTPO/LIMO/SESQ/SOAP/SOAS
fullchem_std/HEMCO_Config.rc:197:       108     MEGAN                  : off    ISOP/ACET/PRPE/C2H4/ALD2/MOH/EOH/MTPA/MTPO/LIMO/SESQ/SOAP/SOAS
fullchem_tomas/HEMCO_Config.rc:197:     108     MEGAN                  : off    ISOP/ACET/PRPE/C2H4/ALD2/MOH/EOH/MTPA/MTPO/LIMO/SESQ/SOAP/SOAS

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This also works for GCHP:

gchp_fullchem_bmk/HEMCO_Config.rc:196:108     MEGAN                  : on     ISOP/ACET/PRPE/C2H4/ALD2/MOH/EOH/MTPA/MTPO/LIMO/SESQ/SOAP/SOAS
gchp_fullchem_std/HEMCO_Config.rc:196:108     MEGAN                  : off    ISOP/ACET/PRPE/C2H4/ALD2/MOH/EOH/MTPA/MTPO/LIMO/SESQ/SOAP/SOAS

@yantosca yantosca changed the title Turn off the MEGAN extension for fullchem "non-benchmark" simulations. Turn off the MEGAN extension for fullchem "non-benchmark" simulations Jul 11, 2024
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yantosca commented Jul 11, 2024

All GEOS-Chem Classic integration tests passed:

==============================================================================
GEOS-Chem Classic: Execution Test Results

GCClassic #30aeed4 GEOS-Chem submod update: Merge PR #2369 (Fixes for satellite diags)
GEOS-Chem #5971dcb0c Turn off MEGAN extension for standard fullchem simulations
HEMCO     #2192e0e HEMCO 3.9.1 release

Using 24 OpenMP threads
Number of execution tests: 28

Submitted as SLURM job: 39495288
==============================================================================

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%  All execution tests passed!  %%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

All simulations were identical to PR #2369, except for differences in the HEMCO_diagnostics and HEMCO_restart files in these simulations:

  • fullchem
  • fullchem_aciduptake
  • fullchem_APM
  • fullchem_complexSOA
  • fullchem_complexSOA_SVPOA
  • fullchem_LuoWd
  • fullchem_marinePOA
  • fullchem_RRTMG
  • fullchem_TOMAS15
  • fullchem (47 levels)
  • fullchem (nested 0.5 x 0.625 NA)

The differences are that with the MEGAN extension being shut off, certain diagnostics are no longer written to the HEMCO_diagnostics file:

$ ncd gc2369/GCC_it/rundirs/gc_4x5_merra2_fullchem/OutputDir/HEMCO_diagnostics.201907010000.nc > log.ref
$ ncd gc2372/GCC_it/rundirs/gc_4x5_merra2_fullchem/OutputDir/HEMCO_diagnostics.201907010000.nc > log.dev
$ diff log.ref log.dev | g float
2:<     float InvMEGAN_AAXX(time, lat, lon) ;
13:<    float InvMEGAN_FAXX(time, lat, lon) ;
24:<    float InvMEGAN_MBOX(time, lat, lon) ;
35:<    float InvMEGAN_OSQT(time, lat, lon) ;
46:<    float InvMEGAN_BCAR(time, lat, lon) ;
57:<    float InvMEGAN_FARN(time, lat, lon) ;
68:<    float InvMEGAN_OMON(time, lat, lon) ;
79:<    float InvMEGAN_OCIM(time, lat, lon) ;
90:<    float InvMEGAN_CARE(time, lat, lon) ;
101:<   float InvMEGAN_MYRC(time, lat, lon) ;
112:<   float InvMEGAN_SABI(time, lat, lon) ;
123:<   float InvMEGAN_BPIN(time, lat, lon) ;
134:<   float InvMEGAN_APIN(time, lat, lon) ;
145:<   float InvMEGAN_ACET_DIRECT(time, lat, lon) ;
156:<   float InvMEGAN_ACET_MBOX(time, lat, lon) ;

as well as certain fields no longer being writtten to the restart file:

$ ncd gc2369/GCC_it/rundirs/gc_4x5_merra2_fullchem/Restarts/HEMCO_diagnostics.201907010100.nc > rst.ref
$ ncd gc2372/GCC_it/rundirs/gc_4x5_merra2_fullchem/Restarts/HEMCO_diagnostics.201907010100.nc > rst.dev
$ diff rst.ref rst.dev | g float
2:<     float PARDF_DAVG(time, lat, lon) ;
13:<    float PARDR_DAVG(time, lat, lon) ;
24:<    float T_DAVG(time, lat, lon) ;
35:<    float T_PREVDAY(time, lat, lon) ;
46:<    float LAI_PREVDAY(time, lat, lon) ;

@yantosca yantosca changed the base branch from dev/no-diff-to-benchmark to dev/14.5.0 July 11, 2024 20:28
@yantosca yantosca changed the base branch from dev/14.5.0 to dev/no-diff-to-benchmark July 11, 2024 20:29
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All GCHP integration tests passed

==============================================================================
GCHP: Execution Test Results

GCHP      #95a745c GEOS-Chem submod update: Merge PR #2369 (Fixes for satellite diags)
GEOS-Chem #5971dcb0c Turn off MEGAN extension for standard fullchem simulations
HEMCO     #

Number of execution tests: 11

Submitted as SLURM job: 39495563
==============================================================================

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%  All execution tests passed!  %%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

All tests were zero-diff to PR #2369 except for:

  • fullchem
  • fullchem_RRTMG
  • fullchem_TOMAS15

Due to similar reasons as listed in the previous comment.

@yantosca yantosca requested a review from msulprizio July 11, 2024 21:11
@yantosca yantosca marked this pull request as ready for review July 11, 2024 21:11
@yantosca yantosca requested review from lizziel and removed request for msulprizio July 12, 2024 15:17
run/GCClassic/createRunDir.sh
- Add a line to set RUNDIR_MEGAN_EXT env var to "on" for GCAP2 met
- Reorder the RUNDIR_*_EXT variables alphabetically

Signed-off-by: Bob Yantosca <[email protected]>
@yantosca yantosca requested a review from lizziel July 12, 2024 17:31
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Looks good to merge.

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category: Bug Fix Fixes a previously-reported bug no-diff-to-benchmark This update will not change the results of fullchem benchmark simulations topic: Configuration Files Related to GEOS-Chem configuration files topic: Run Directories Related to run directory issues and run directory creation
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MEGAN extension is turned on by default in GCHP run directory
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