[PULL REQUEST] Apply fix for updating manual HEMCO diagnostics

[msulprizio]

Several users reported issues with zero emissions in the Hg and CH4 simulations (see #112, geoschem/geos-chem#895, geoschem/geos-chem#1011). The problem was tracked to the call to Diagn_Update in hco_calc_mod.F90. In commit 0573632 for the GCHP adjoint, the argument COL=-1 was changed to COL=HcoState%Diagn%HcoDiagnIDDefault (where HcoState%Diagn%HcoDiagnIDDefault = 1). However, COL=-1 is needed to update all HEMCO diagnostics, not just the default diagnostics. This is essential to update manual diagnostics, such as those defined in GEOS-Chem's hcoi_gc_diagn_mod.F90 for the CH4, Hg, and TOMAS simulations. Without this fix, arrays containing all zeroes are passed when manual diagnostics are obtained via HCO_GC_GetDiagn.

This commit reverts changes made in commit 0573632 for the GCHP adjoint. It is not clear if this has an impact on the GCHP adjoint, but if so then changing the value of COL should be done within an IF block so that it only applies to adjoint simulations.

This bug fix impacts the CH4, Hg, and TOMAS simulations in GEOS-Chem 13.1.0 - 13.3.2 and HEMCO 3.0.0 - 3.3.0.

[msulprizio]

Please note that I only tested this with the CH4 simulation. I would recommend further testing in the GEOS-Chem Hg simulation to see if this does resolve the diagnostic issues there and also doing a difference test with GEOS-Chem full-chemistry simulations to ensure zero differences.

[yantosca]

This is straighforward, returning the behavior prior to the merge with the GCHP adjoint updates. Approved.

[yantosca]

GEOS-Chem Classic integration tests all passed:

Summary of test results:
------------------------------------------------------------------------------
Execution tests passed: 80
Execution tests failed: 0
Execution tests not yet completed: 0

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%%%  All execution tests passed!  %%%
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[yantosca]

GCHP integration tests passed.

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

Number of execution tests: 3
==============================================================================

Execution tests:
------------------------------------------------------------------------------
gchp_fullchem_benchmark_merra2_c48...............Execute Simulation.....PASS
gchp_fullchem_standard_merra2_c24................Execute Simulation.....PASS
gchp_TransportTracers_geosfp_c24.................Execute Simulation.....PASS

Summary of execution test results:
------------------------------------------------------------------------------
Execution tests passed:        3
Execution tests failed:        0
Execution tests not completed: 0

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

We are good to release 13.3.0.

[yantosca]

I just discovered that this update also will restore the biogenic emissions to their proper values, as the HEMCO MEGAN extension uses manual HEMCO diagnostics (i.e. calling Diagn_Create) to update diagnostics for non-advected species. This leads to small differences (as seen in benchmark 13.4.0-alpha.3, which uses HEMCO 3.2.2.):

This leads to very small differences in biogenic emission totals, all less than 0.3%:

###################################################################################
### Emissions totals for species ACET [Tg]                                      ###
### Ref = GCC_13.4.0-alpha.2; Dev = GCC_13.4.0-alpha.3                          ###
###################################################################################
                                    Ref                 Dev     Dev - Ref    % diff
ACET Biogenic      :           4.374804            4.364581     -0.010222    -0.234
ALD2 Biogenic      :           1.741248            1.739270     -0.001978    -0.114
EOH Biogenic       :           1.741248            1.739270     -0.001978    -0.114
ISOP Biogenic      :          34.674372           34.578112     -0.096260    -0.278
LIMO Biogenic      :           0.965262            0.964323     -0.000939    -0.097
MTPA Biogenic      :           8.559976            8.558323     -0.001653    -0.019
MTPO Biogenic      :           3.941243            3.940485     -0.000758    -0.019
PRPE Biogenic      :           2.495728            2.489808     -0.005920    -0.237
SOAP Biogenic      :           1.216940            1.215157     -0.001783    -0.147
SOAS Biogenic      :           1.216940            1.215157     -0.001783    -0.147