Difference between revisions of "History collections for chemistry and photolysis"

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=== The ConcAfterChem collection ===
+
__FORCETOC__
 +
'''''[[History collections for budgets|Previous]] | [[History collections for convection and wet deposition|Next]] | [[Guide to GEOS-Chem History diagnostics]]'''''
 +
#[[Overview of History diagnostics]]
 +
#[[Legend for History diagnostics]]
 +
#[[Collections for History diagnostics]]
 +
#[[History collections for advection and mixing]]
 +
#[[History collections for aerosols]]
 +
#[[History collections for budgets]]
 +
#<span style="color:blue">'''History collections for chemistry and photolysis'''</span>
 +
#[[History collections for convection and wet deposition]]
 +
#[[History collections for dry deposition]]
 +
#[[History collections for mercury and POPs]]
 +
#[[History collections for met fields and related quantities]]
 +
#[[History collections for methane]]
 +
#[[History collections for species concentrations]]
 +
#[[History collections for TransportTracers]]
 +
#[[History collections for CO2]]
 +
#[[Replicating the behavior of the prior timeseries diagnostics]]
 +
#[[Adding new History diagnostics]]
  
The '''ConcAfterChem''' collection contains diagnostics for OH, HO2, etc. species immediately upon exiting the [[FlexChem]] solver.
 
  
Here is a sample definition section for the ConcAfterChem collection. If this collection is not already present in the <tt>HISTORY.rc</tt> file in [[Creating GEOS-Chem run directories|the GEOS-Chem run directory for your selected simulation]], you can copy and paste this into your <tt>HISTORY.rc</tt> file and edit accordingly.
+
== The ConcAfterChem collection ==
 +
 
 +
The '''ConcAfterChem''' collection contains diagnostics for OH, HO2, etc. species immediately upon exiting the [[FlexChem]] solver.
  
To prevent an individual field from being included in the diagnostic output, place a comment character <tt>#</tt> in front of the field name.
+
Here is a sample definition section for the ConcAfterChem collection.
 +
*If this collection is not already present in the <tt>HISTORY.rc</tt> file in [[Creating GEOS-Chem run directories|the GEOS-Chem run directory for your selected simulation]], you can copy and paste this into your <tt>HISTORY.rc</tt> file and edit accordingly. 
 +
*To prevent an individual field from being included in the diagnostic output, place a comment character <tt>#</tt> in front of the field name.
 +
*Please see our ''[[Legend for History diagnostics]]'' page for more information about each of the collection tags.
  
 
   ConcAfterChem.template:    '%y4%m2%d2_%h2%n2z.nc4',
 
   ConcAfterChem.template:    '%y4%m2%d2_%h2%n2z.nc4',
Line 16: Line 38:
 
                               'O1DconcAfterChem              ', 'GIGCchem',   
 
                               'O1DconcAfterChem              ', 'GIGCchem',   
 
                               'O3PconcAfterChem              ', 'GIGCchem',   
 
                               'O3PconcAfterChem              ', 'GIGCchem',   
 +
                              'O3concAfterChem                ', 'GIGCchem', 
 +
                              'RO2concAfterChem              ', 'GIGCchem', 
 
  ::
 
  ::
  
 
This table describes the diagnostic quantities belonging to the ConcAfterChem collection:
 
This table describes the diagnostic quantities belonging to the ConcAfterChem collection:
  
''NOTE: '''All fullchem''' refers to all simulations that use [[GEOS-Chem_chemistry_mechanisms#Mechanisms_for_GEOS-Chem_v11-02|a full-chemistry mechanism]] (i.e. benchmark, complexSOA*, standard, tropchem. aciduptake, marinePOA, RRTMG, TOMAS).''
 
 
''NOTE: '''UCX fullchem''' refers to all full-chemistry simulations that use [[UCX chemistry mechanism|UCX]] (i.e. benchmark, standard, aciduptake, marinePOA).''
 
  
 
{| border=1 cellspacing=0 cellpadding=5  
 
{| border=1 cellspacing=0 cellpadding=5  
Line 31: Line 52:
 
!width="80px"|Wildcards
 
!width="80px"|Wildcards
 
!width="150px"|Simulations
 
!width="150px"|Simulations
 +
!width="175px"|Notes
 
!width="100px"|[[List of diagnostics archived to bpch format|Bpch equiv.]]
 
!width="100px"|[[List of diagnostics archived to bpch format|Bpch equiv.]]
!width="150px"|Notes
 
  
 
|-valign="top"
 
|-valign="top"
Line 40: Line 61:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 +
*CH4
 
|
 
|
*[[List of diagnostics archived to bpch format|ND43]], #1
 
 
|
 
|
 +
*[[List of diagnostics archived to bpch format|ND43]], #1
  
 
|-valign="top"
 
|-valign="top"
 
|HO2concAfterChem
 
|HO2concAfterChem
 
|HO2 concentration immediately after exiting the FlexChem solver
 
|HO2 concentration immediately after exiting the FlexChem solver
|molec/cm3
+
|v/v
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 
|
 
|
*[[List of diagnostics archived to bpch format|ND43]], #3
 
 
|
 
|
 +
*[[List of diagnostics archived to bpch format|ND43]], #3
 
   
 
   
 
|-valign="top"
 
|-valign="top"
Line 62: Line 84:
 
|
 
|
 
|
 
|
*UCX fullchem
+
*fullchem
 
|
 
|
*[[List of diagnostics archived to bpch format|ND43]], #4
 
 
|
 
|
 +
*[[List of diagnostics archived to bpch format|ND43]], #4
  
 
|-valign="top"
 
|-valign="top"
Line 73: Line 95:
 
|
 
|
 
|
 
|
*UCX fullchem
+
*fullchem
 +
|
 
|
 
|
 
*[[List of diagnostics archived to bpch format|ND43]], #5
 
*[[List of diagnostics archived to bpch format|ND43]], #5
 +
 +
|-valign="top"
 +
|O3concAfterChem
 +
|O3 concentration immediately after exiting the FlexChem solver
 +
|molec/cm3
 
|
 
|
 +
|
 +
*fullchem
 +
|
 +
|
 +
*None
  
|}
+
|-valign="top"
 +
|RO2concAfterChem
 +
|RO2 concentration immediately after exiting the FlexChem solver
 +
|molec/cm3
 +
|
 +
|
 +
*fullchem
 +
|
 +
|
 +
*None
  
--[[User:Bmy|Bob Yantosca]] ([[User talk:Bmy|talk]]) 19:12, 7 June 2018 (UTC)
+
|}
  
=== The JValues collection ===
+
== The JValues collection ==
  
 
The '''JValues''' collection contains diagnostics for photolysis rates for various chemical species, obtained from the FAST-JX photolysis mechanism.
 
The '''JValues''' collection contains diagnostics for photolysis rates for various chemical species, obtained from the FAST-JX photolysis mechanism.
  
Here is a sample definition section for the JValues collection. If this collection is not already present in the <tt>HISTORY.rc</tt> file in [[Creating GEOS-Chem run directories|the GEOS-Chem run directory for your selected simulation]], you can copy and paste this into your <tt>HISTORY.rc</tt> file and edit accordingly.   
+
Here is a sample definition section for the JValues collection.
 
+
*If this collection is not already present in the <tt>HISTORY.rc</tt> file in [[Creating GEOS-Chem run directories|the GEOS-Chem run directory for your selected simulation]], you can copy and paste this into your <tt>HISTORY.rc</tt> file and edit accordingly.   
To prevent an individual field from being included in the diagnostic output, place a comment character <tt>#</tt> in front of the field name.
+
*To prevent an individual field from being included in the diagnostic output, place a comment character <tt>#</tt> in front of the field name.
 +
*Please see our ''[[Legend for History diagnostics]]'' page for more information about each of the collection tags.
  
 
   JValues.template:          '%y4%m2%d2_%h2%n2z.nc4',
 
   JValues.template:          '%y4%m2%d2_%h2%n2z.nc4',
Line 99: Line 142:
  
 
This table describes the diagnostic quantities belonging to the JValues collection:
 
This table describes the diagnostic quantities belonging to the JValues collection:
 
''NOTE: '''All fullchem''' refers to all simulations that use [[GEOS-Chem_chemistry_mechanisms#Mechanisms_for_GEOS-Chem_v11-02|a full-chemistry mechanism]] (i.e. benchmark, complexSOA*, standard, tropchem. aciduptake, marinePOA, RRTMG, TOMAS).''
 
  
 
{| border=1 cellspacing=0 cellpadding=5  
 
{| border=1 cellspacing=0 cellpadding=5  
Line 109: Line 150:
 
!width="80px"|Wildcards
 
!width="80px"|Wildcards
 
!width="150px"|Simulations
 
!width="150px"|Simulations
 +
!width="175px"|Notes
 
!width="100px"|[[List of diagnostics archived to bpch format|Bpch equiv.]]
 
!width="100px"|[[List of diagnostics archived to bpch format|Bpch equiv.]]
!width="150px"|Notes
 
  
 
|-valign="top"
 
|-valign="top"
Line 119: Line 160:
 
*?PHO?
 
*?PHO?
 
|
 
|
*all fullchem
+
*fullchem
 +
|
 
|
 
|
 
*[[List_of_diagnostics_archived_to_bpch_format#ND22:_Photolysis_diagnostics|ND22]]
 
*[[List_of_diagnostics_archived_to_bpch_format#ND22:_Photolysis_diagnostics|ND22]]
 +
 +
|-valign="top"
 +
|JvalO3O1D
 +
|Photolysis rate of O3 -> O1D
 +
|1/s
 
|
 
|
*We recommend using saving out instantaneous values with this collection.
+
|
 +
*fullchem
 +
|
 +
*<span style="color:darkgreen">'''Added in 13.0.0'''</span>
 +
|
 +
 
 +
|-valign="top"
 +
|JvalO3O3P
 +
|Photolysis rate of O3 -> O3P
 +
|1/s
 +
|
 +
|
 +
*fullchem
 +
|
 +
*<span style="color:darkgreen">'''Added in 13.0.0'''</span>
 +
|
 +
 
 
|}
 
|}
  
--[[User:Bmy|Bob Yantosca]] ([[User talk:Bmy|talk]]) 20:38, 16 May 2018 (UTC)
+
== The KppDiags collection ==
  
=== The ProdLoss Collection ===
+
The '''KppDiags''' collection contains KPP solver diagnostics.  You can leave this collection disabled unless you are interested in assessing the solver's performance.
  
The '''ProdLoss''' collection contains chemical production and loss rates.
+
Here is a sample definition section for the KppDiags collection.
 +
*If this collection is not already present in the <tt>HISTORY.rc</tt> file in [[Creating GEOS-Chem run directories|the GEOS-Chem run directory for your selected simulation]], you can copy and paste this into your <tt>HISTORY.rc</tt> file and edit accordingly. 
 +
*To prevent an individual field from being included in the diagnostic output, place a comment character <tt>#</tt> in front of the field name.
 +
*Please see our ''[[Legend for History diagnostics]]'' page for more information about each of the collection tags.
  
Here is a sample definition section for the ProdLoss collection. If this collection is not already present in the <tt>HISTORY.rc</tt> file in [[Creating GEOS-Chem run directories|the GEOS-Chem run directory for your selected simulation]], you can copy and paste this into your <tt>HISTORY.rc</tt> file and edit accordingly.   
+
  KppDiags.template:          '%y4%m2%d2_%h2%n2z.nc4',
 +
  KppDiags.format:            'CFIO',
 +
  KppDiags.frequency:        010000
 +
  KppDiags.duration:          010000
 +
  KppDiags.mode:              'time-averaged'
 +
  KppDiags.fields:            'KppIntCounts                  ', 'GIGCchem',
 +
                              'KppJacCounts                  ', 'GIGCchem',
 +
                              'KppTotSteps                  ', 'GIGCchem',
 +
                              'KppAccSteps                  ', 'GIGCchem',
 +
                              'KppRejSteps                  ', 'GIGCchem',
 +
                              'KppLuDecomps                  ', 'GIGCchem',
 +
                              'KppSubsts                    ', 'GIGCchem',
 +
                              'KppSmDecomps                  ', 'GIGCchem',
 +
  ::
  
To prevent an individual field from being included in the diagnostic output, place a comment character <tt>#</tt> in front of the field name.
+
This table describes the diagnostic quantities belonging to the JValues collection:
 +
*''NOTE: '''fullchem''' refers to all simulations that use [[GEOS-Chem_chemistry_mechanisms#Mechanisms_for_GEOS-Chem_v11-02|a full-chemistry mechanism]] (i.e. benchmark, complexSOA*, standard, tropchem. aciduptake, marinePOA, RRTMG, TOMAS).''
 +
 
 +
{| border=1 cellspacing=0 cellpadding=5
 +
|-valign="top" bgcolor="#CCCCCC"
 +
!width="225px"|Diagnostic name
 +
!width="225px"|Description
 +
!width="125px"|Units
 +
!width="80px"|Wildcards
 +
!width="150px"|Simulations
 +
!width="175px"|Notes
 +
!width="100px"|[[List of diagnostics archived to bpch format|Bpch equiv.]]
 +
 
 +
|-valign="top"
 +
|KppIntCounts
 +
|Number of times the KPP integrator was called
 +
|count
 +
|
 +
|
 +
*fullchem
 +
|
 +
*<span style="color:darkgreen">'''Added in 12.7.0'''</span>
 +
|
 +
 
 +
|-valign="top"
 +
|KppJacCounts
 +
|Number of times the Jacobian matrix was constructed
 +
|count
 +
|
 +
|
 +
*fullchem
 +
|
 +
*<span style="color:darkgreen">'''Added in 12.7.0'''</span>
 +
|
 +
 
 +
|-valign="top"
 +
|KppTotSteps
 +
|Total number of integration timesteps
 +
|count
 +
|
 +
|
 +
*fullchem
 +
|
 +
*<span style="color:darkgreen">'''Added in 12.7.0'''</span>
 +
|
 +
 
 +
|-valign="top"
 +
|KppAccSteps
 +
|Number of accepted integration timesteps
 +
|count
 +
|
 +
|
 +
*fullchem
 +
|
 +
*<span style="color:darkgreen">'''Added in 12.7.0'''</span>
 +
|
 +
 
 +
|-valign="top"
 +
|KppRejSteps
 +
|Number of rejected integration timesteps
 +
|count
 +
|
 +
|
 +
*fullchem
 +
|
 +
*<span style="color:darkgreen">'''Added in 12.7.0'''</span>
 +
|
 +
 
 +
|-valign="top"
 +
|KppLuDecomps
 +
|Number of LU decompositions performed
 +
|count
 +
|
 +
|
 +
*fullchem
 +
|
 +
*<span style="color:darkgreen">'''Added in 12.7.0'''</span>
 +
|
 +
 
 +
|-valign="top"
 +
|KppSubsts
 +
|Number of matrix substitutions performed.  Includes forward and backward substitutions.
 +
|count
 +
|
 +
|
 +
*fullchem
 +
|
 +
*<span style="color:darkgreen">'''Added in 12.7.0'''</span>
 +
|
 +
 
 +
|-valign="top"
 +
|KppSmDecomps
 +
|Number of singular matrix decopositions performed.
 +
* NOTE: For Rosenbrock solvers, this will be zero everywhere, because the Rosenbrock method utilizes LU decomposition.
 +
|count
 +
|
 +
|
 +
*fullchem
 +
|
 +
*<span style="color:darkgreen">'''Added in 12.7.0'''</span>
 +
|
 +
 
 +
|}
 +
 
 +
== The Metrics collection ==
 +
 
 +
The '''Metrics''' collection contains diagnostics for computing OH metrics from a GEOS-Chem full chemistry simulation.  To compute the OH metrics, you must run the Python script <tt>metrics.py</tt> that ships with each fullchem or CH4 run directory.
 +
 
 +
Here is a sample definition section for the JValues collection.
 +
*If this collection is not already present in the <tt>HISTORY.rc</tt> file in [[Creating GEOS-Chem run directories|the GEOS-Chem run directory for your selected simulation]], you can copy and paste this into your <tt>HISTORY.rc</tt> file and edit accordingly. 
 +
*To prevent an individual field from being included in the diagnostic output, place a comment character <tt>#</tt> in front of the field name.
 +
*Please see our ''[[Legend for History diagnostics]]'' page for more information about each of the collection tags.
 +
 
 +
  Metrics.template:    '%y4%m2%d2_%h2%n2z.nc4',
 +
  Metrics.format:      'CFIO',
 +
  Metrics.frequency:  'End',
 +
  Metrics.duration:    'End',
 +
  Metrics.mode:        'time-averaged'
 +
  Metrics.fields:      'AirMassColumnFull            ', 'GIGCchem',
 +
                        'CH4emission                  ', 'GIGCchem',
 +
                        'CH4massColumnFull            ', 'GIGCchem'
 +
                        'CH4massColumnTrop            ', 'GIGCchem',
 +
                        'LossOHbyCH4columnTrop        ', 'GIGCchem',
 +
                        'LossOHbyMCFcolumnTrop        ', 'GIGCchem',
 +
                        'OHwgtByAirMassColumnFull      ', 'GIGCchem',
 +
::
 +
 
 +
The table below describes diagnostic quantities belonging to the ProdLoss collection.
 +
 
 +
{| border=1 cellspacing=0 cellpadding=5
 +
|-valign="top" bgcolor="#CCCCCC"
 +
!width="225px"|Diagnostic name
 +
!width="225px"|Description
 +
!width="125px"|Units
 +
!width="80px"|Wildcards
 +
!width="150px"|Simulations
 +
!width="175px"|Notes
 +
!width="100px"|[[List of diagnostics archived to bpch format|Bpch equiv.]]
 +
 
 +
|-valign="top"
 +
|AirMassColumnFull
 +
|Air mass, full atmosphere column sums
 +
|kg
 +
|
 +
|
 +
*fullchem
 +
*CH4
 +
*tagCH4
 +
|
 +
*<span style="color:darkgreen">'''Added in 13.0.0'''</span>
 +
|
 +
 
 +
|-valign="top"
 +
|LossOHbyCH4columnTrop
 +
|Loss rate of CH4 by OH, tropospheric column sums
 +
|molec cm-3
 +
|
 +
|
 +
*fullchem
 +
*CH4
 +
*tagCH4
 +
|
 +
*<span style="color:darkgreen">'''Added in 13.0.0'''</span>
 +
|
 +
 
 +
|-valign="top"
 +
|LossOHbyMCFcolumnTrop
 +
|Loss rate of CH3CCl3 (aka MCF) by OH, tropospheric column sums
 +
|molec cm-3
 +
|
 +
|
 +
*fullchem
 +
*CH4
 +
*tagCH4
 +
|
 +
*<span style="color:darkgreen">'''Added in 13.0.0'''</span>
 +
|
 +
 
 +
|-valign="top"
 +
|OHwgtByAirMassColumnFull
 +
|Airmass-weighted mean OH concentration, full-atmosphere column sums
 +
|kg air kg OH m-3
 +
|
 +
|
 +
*fullchem
 +
*CH4
 +
*tagCH4
 +
|
 +
*<span style="color:darkgreen">'''Added in 13.0.0'''</span>
 +
|
 +
 
 +
|-valign=top"
 +
!colspan="7" bgcolor="#CCFFFF"|Diagnostics applicable only to the CH4 or tagCH4 simulations
 +
 
 +
|-valign="top"
 +
|CH4emission
 +
|CH4 emission, used for computing OH metrics
 +
|kg s-1
 +
|
 +
|
 +
*CH4
 +
*tagCH4
 +
|
 +
*<span style="color:darkgreen">'''Added in 13.0.0'''</span>
 +
|
 +
 
 +
|-valign="top"
 +
|CH4massColumnFull
 +
|Airmass-weighted CH4 concentration, full-atmosphere column sums
 +
|kg air kg CH4 m-3
 +
|
 +
|
 +
*CH4
 +
*tagCH4
 +
|
 +
*<span style="color:darkgreen">'''Added in 13.0.0'''</span>
 +
|
 +
 
 +
|-valign="top"
 +
|CH4massColumnTrop
 +
|Airmass-weighted CH4 concentration, troposphere-only column sums
 +
|kg air kg CH4 m-3
 +
|
 +
|
 +
*CH4
 +
*tagCH4
 +
|
 +
*<span style="color:darkgreen">'''Added in 13.0.0'''</span>
 +
|
 +
 
 +
|}
 +
 
 +
== The ProdLoss Collection ==
 +
 
 +
The '''ProdLoss''' collection contains chemical production and loss rates.
  
''NOTE: This example is for the '''benchmark''' simulation.  Some quantities in this collection are not applicable to certain simulations.''
+
Here is a sample definition section for the ProdLoss collection.
 +
*If this collection is not already present in the <tt>HISTORY.rc</tt> file in [[Creating GEOS-Chem run directories|the GEOS-Chem run directory for your selected simulation]], you can copy and paste this into your <tt>HISTORY.rc</tt> file and edit accordingly. 
 +
*To prevent an individual field from being included in the diagnostic output, place a comment character <tt>#</tt> in front of the field name.
 +
*Please see our ''[[Legend for History diagnostics]]'' page for more information about each of the collection tags.
 +
*''NOTE: This example is for the '''benchmark''' simulation.  Some quantities in this collection are not applicable to certain simulations.''
  
 
   ProdLoss.template:          '%y4%m2%d2_%h2%n2z.nc4',
 
   ProdLoss.template:          '%y4%m2%d2_%h2%n2z.nc4',
Line 156: Line 473:
 
                               'Loss_?LOS?                    ', 'GIGCchem',
 
                               'Loss_?LOS?                    ', 'GIGCchem',
 
                               'LossHNO3onSeaSalt            ', 'GIGCchem',
 
                               'LossHNO3onSeaSalt            ', 'GIGCchem',
 +
                              'ProdCOfromCH4                ', 'GIGCchem',
 +
                              'ProdCOfromNMVOC              ', 'GIGCchem',
 
  ::
 
  ::
  
 
The table below describes diagnostic quantities belonging to the ProdLoss collection.
 
The table below describes diagnostic quantities belonging to the ProdLoss collection.
 
+
*''NOTE: '''fullchem''' refers to all simulations that use [[GEOS-Chem_chemistry_mechanisms#Mechanisms_for_GEOS-Chem_v11-02|a full-chemistry mechanism]] (i.e. benchmark, complexSOA*, standard, tropchem. aciduptake, marinePOA, RRTMG, TOMAS).''
''NOTE: '''All fullchem''' refers to all simulations that use [[GEOS-Chem_chemistry_mechanisms#Mechanisms_for_GEOS-Chem_v11-02|a full-chemistry mechanism]] (i.e. benchmark, complexSOA*, standard, tropchem. aciduptake, marinePOA, RRTMG, TOMAS).''
+
  
 
{| border=1 cellspacing=0 cellpadding=5  
 
{| border=1 cellspacing=0 cellpadding=5  
Line 169: Line 487:
 
!width="80px"|Wildcards
 
!width="80px"|Wildcards
 
!width="150px"|Simulations
 
!width="150px"|Simulations
 +
!width="175px"|Notes
 
!width="100px"|[[List of diagnostics archived to bpch format|Bpch equiv.]]
 
!width="100px"|[[List of diagnostics archived to bpch format|Bpch equiv.]]
!width="150px"|Notes
 
  
 
|-valign=top"  
 
|-valign=top"  
!colspan="7" bgcolor="#CCFFFF"|Diagnostics applicable only to the aciduptake simulation  
+
!colspan="7" bgcolor="#CCFFFF"|Diagnostics applicable only to the fullchem simulation with the  aciduptake option
  
 
|-valign="top"  
 
|-valign="top"  
Line 181: Line 499:
 
|
 
|
 
|
 
|
*aciduptake
+
*fullchem w/ aciduptake
 +
|
 
|
 
|
 
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #12]]
 
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #12]]
|
 
  
 
|-valign="top"  
 
|-valign="top"  
Line 192: Line 510:
 
|
 
|
 
|
 
|
*aciduptake
+
*fullchem w/ aciduptake
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #13]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #13]]
  
 
|-valign="top"
 
|-valign="top"
Line 203: Line 521:
 
|
 
|
 
|
 
|
*aciduptake
+
*fullchem w/ aciduptake
 +
|
 
|
 
|
 
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #14]]
 
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #14]]
|
 
  
 
|-valign=top"  
 
|-valign=top"  
Line 217: Line 535:
 
|
 
|
 
|
 
|
*aerosol
+
*aerosol-only
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #1]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #1]]
  
 
|-valign="top"  
 
|-valign="top"  
Line 228: Line 546:
 
|
 
|
 
|
 
|
*aerosol
+
*aerosol-only
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #2]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #2]]
  
 
|-valign="top"
 
|-valign="top"
Line 239: Line 557:
 
|
 
|
 
|
 
|
*aerosol
+
*aerosol-only
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #3]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #3]]
  
 
|-valign="top"
 
|-valign="top"
Line 250: Line 568:
 
|
 
|
 
|
 
|
*aerosol
+
*aerosol-only
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #4]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #4]]
  
 
|-valign="top"
 
|-valign="top"
Line 261: Line 579:
 
|
 
|
 
|
 
|
*aerosol
+
*aerosol-only
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #5]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #5]]
  
 
|-valign=top"  
 
|-valign=top"  
!colspan="7" bgcolor="#CCFFFF"|Diagnostics applicable only to the aerosol-only and all fullchem simulations
+
!colspan="7" bgcolor="#CCFFFF"|Diagnostics applicable only to the aerosol-only and fullchem simulations
  
 
|-valign="top"
 
|-valign="top"
Line 275: Line 593:
 
|
 
|
 
|
 
|
*aerosol
+
*aerosol-only
*all fullchem
+
*fullchem
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND07:_BC_and_OC_sources|ND07 #4]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND07:_BC_and_OC_sources|ND07 #4]]
  
 
|-valign="top"
 
|-valign="top"
Line 287: Line 605:
 
|
 
|
 
|
 
|
*aerosol
+
*aerosol-only
*all fullchem
+
*fullchem
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND07:_BC_and_OC_sources|ND07 #9]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND07:_BC_and_OC_sources|ND07 #9]]
  
 
|-valign="top"
 
|-valign="top"
Line 299: Line 617:
 
|
 
|
 
|
 
|
*aerosol
+
*aerosol-only
*all fullchem
+
*fullchem
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #6]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #6]]
  
 
|-valign="top"
 
|-valign="top"
Line 311: Line 629:
 
|
 
|
 
|
 
|
*aerosol
+
*aerosol-only
*all fullchem
+
*fullchem
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #8]]
+
*New in [[GEOS-Chem 12#12.0.0|12.0.0]]
 
|
 
|
*New in v11-02
+
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #8]]
  
 
|-valign="top"
 
|-valign="top"
Line 324: Line 642:
 
|
 
|
 
|
 
|
*aerosol
+
*aerosol-only
*all fullchem
+
*fullchem
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #7]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #7]]
  
 
|-valign="top"  
 
|-valign="top"  
Line 336: Line 654:
 
|
 
|
 
|
 
|
*aerosol
+
*aerosol-only
*all fullchem
+
*fullchem
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #9]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #9]]
  
 
|-valign="top"
 
|-valign="top"
Line 348: Line 666:
 
|
 
|
 
|
 
|
*aerosol
+
*aerosol-only
*all fullchem
+
*fullchem
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #19]]
+
*New in [[GEOS-Chem 12#12.0.0|12.0.0]]
 
|
 
|
*New in v11-02
+
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #19]]
  
 
|-valign="top"
 
|-valign="top"
Line 361: Line 679:
 
|
 
|
 
|
 
|
*aerosol
+
*aerosol-only
*all fullchem
+
*fullchem
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #17]]
+
*New in [[GEOS-Chem 12#12.0.0|12.0.0]]
 
|
 
|
*New in v11-02
+
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #17]]
  
 
|-valign="top"  
 
|-valign="top"  
Line 374: Line 692:
 
|
 
|
 
|
 
|
*aerosol
+
*aerosol-only
*all fullchem
+
*fullchem
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND07:_BC_and_OC_sources|ND07 #15]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND07:_BC_and_OC_sources|ND07 #15]]
  
 
|-valign=top"  
 
|-valign=top"  
Line 389: Line 707:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #16]]
+
*<span style="color:darkgreen">'''Added in 12.0.0'''</span>
 
|
 
|
*New in v11-02
+
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #16]]
  
 
|-valign="top"
 
|-valign="top"
Line 401: Line 719:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 +
|
 +
*<span style="color:darkgreen">'''Added in 12.0.0'''</span>
 
|
 
|
 
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #18]]
 
*[[List_of_diagnostics_archived_to_bpch_format#ND05:_P.2FL_for_sulfate_aerosols|ND05 #18]]
 +
 +
|-valign="top"
 +
|ProdCOfromCH4
 +
|Production of CO from CH4
 +
|molec cm-3 s-1
 +
|
 +
|
 +
*fullchem
 +
|
 +
*<span style="color:darkgreen">'''Added in 12.0.0'''</span>
 +
|
 +
 +
|-valign="top"
 +
|ProdCOfromNMVOC
 +
|Production of CO from NMVOCs
 +
|molec cm-3 s-1
 +
|
 +
|
 +
*fullchem
 +
|
 +
*<span style="color:darkgreen">'''Added in 12.0.0'''</span>
 
|
 
|
*New in v11-02
 
  
 
|-valign=top"  
 
|-valign=top"  
Line 417: Line 757:
 
*?PRD?
 
*?PRD?
 
|
 
|
*all fullchem
+
*fullchem
 
*tagCO
 
*tagCO
 
*tagO3
 
*tagO3
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND65:_Chemical_production_and_loss_diagnostics|ND65]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND65:_Chemical_production_and_loss_diagnostics|ND65]]
  
 
|-valign="top"
 
|-valign="top"
Line 431: Line 771:
 
*?LOS?
 
*?LOS?
 
|
 
|
*all fullchem
+
*fullchem
 
*tagCO
 
*tagCO
 
*tagO3
 
*tagO3
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND65:_Chemical_production_and_loss_diagnostics|ND65]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND65:_Chemical_production_and_loss_diagnostics|ND65]]
 +
 
|}
 
|}
  
--[[User:Bmy|Bob Yantosca]] ([[User talk:Bmy|talk]]) 19:25, 17 May 2018 (UTC)
+
== The RxnRates Collection ==
  
=== The StateChm Collection ===
+
The '''RxnRates''' collection contains reaction rates from the chemical mechanism (as computed by the KPP-generated solver code). For example, in the case of the NO + O<sub>3</sub> &rarr; NO<sub>2</sub> + O<sub>2</sub> reaction the returned quantity is k[NO][O<sub>3</sub>] in molec/cm<sup>3</sup>/s.
  
The '''StateChm ''' collection contains quantities from <tt>State_Chm</tt>, the Chemistry state object (other than the species concentrations, which are stored in the SpeciesConc collection).
+
Here is a sample definition section for the RxnRates collection.
 +
*If this collection is not already present in the <tt>HISTORY.rc</tt> file in [[Creating GEOS-Chem run directories|the GEOS-Chem run directory for your selected simulation]], you can copy and paste this into your <tt>HISTORY.rc</tt> file and edit accordingly. 
 +
*To prevent an individual field from being included in the diagnostic output, place a comment character <tt>#</tt> in front of the field name.
 +
*Please see our ''[[Legend for History diagnostics]]'' page for more information about each of the collection tags.
  
Here is a sample definition section for the StateChm collection. If this collection is not already present in the <tt>HISTORY.rc</tt> file in [[Creating GEOS-Chem run directories|the GEOS-Chem run directory for your selected simulation]], you can copy and paste this into your <tt>HISTORY.rc</tt> file and edit accordingly.   
+
  #
 +
  # It is best to list individual reactions to avoid using too much memory.
 +
  # Reactions should be listed as "RxnRate_EQnnn", where nnn is the reaction
 +
  # index as listed in KPP/fullchem/gckpp_Monitor.F90 or KPP/Hg/gckpp_monitor.F90
 +
  # (pad zeroes as needed)
 +
  #
 +
  RxnRates.template:  '%y4%m2%d2_%h2%n2z.nc4',
 +
  RxnRates.frequency: 00000000 010000
 +
  RxnRates.duration:  00000000 010000
 +
  RxnRates.mode:      'time-averaged'
 +
  RxnRates.fields:    'RxnRate_EQ001                          ',
 +
                      'RxnRate_EQ002                          ',
 +
::
  
To prevent an individual field from being included in the diagnostic output, place a comment character <tt>#</tt> in front of the field name.
 
  
Other fields of the <tt>State_Chm</tt> object can be added to this collection by prefixing the field name with <tt>Chem_</tt>.
+
The table below describes diagnostic quantities belonging to the ProdLoss collection.
 +
*''NOTE: '''fullchem''' refers to all simulations that use [[GEOS-Chem_chemistry_mechanisms#Mechanisms_for_GEOS-Chem_v11-02|a full-chemistry mechanism]] (i.e. benchmark, complexSOA*, standard, tropchem. aciduptake, marinePOA, RRTMG, TOMAS).''
 +
 
 +
{| border=1 cellspacing=0 cellpadding=5
 +
|-valign="top" bgcolor="#CCCCCC"
 +
!width="225px"|Diagnostic name
 +
!width="225px"|Description
 +
!width="125px"|Units
 +
!width="80px"|Wildcards
 +
!width="150px"|Simulations
 +
!width="175px"|Notes
 +
!width="100px"|[[List of diagnostics archived to bpch format|Bpch equiv.]]
 +
 
 +
|-valign=top"
 +
!colspan="7" bgcolor="#CCFFFF"|Diagnostics applicable only to the fullchem simulation with the  aciduptake option
 +
 
 +
|-valign="top"
 +
|RxnRate_EQnnn
 +
|Rate for reaction nnn (see <tt>gckpp_Monitor.F90</tt> for the reaction number.
 +
|molec/cm<sup>3</sup>/s
 +
|
 +
|
 +
*fullchem
 +
*Hg (in 13.4.0 and later)
 +
|
 +
|
 +
 
 +
|}
 +
 
 +
== The StateChm Collection ==
 +
 
 +
The '''StateChm ''' collection contains quantities from <tt>State_Chm</tt>, the Chemistry state object (other than the species concentrations, which are stored in the SpeciesConc collection). 
 +
 
 +
Here is a sample definition section for the StateChm collection.
 +
*If this collection is not already present in the <tt>HISTORY.rc</tt> file in [[Creating GEOS-Chem run directories|the GEOS-Chem run directory for your selected simulation]], you can copy and paste this into your <tt>HISTORY.rc</tt> file and edit accordingly. 
 +
*To prevent an individual field from being included in the diagnostic output, place a comment character <tt>#</tt> in front of the field name.
 +
*Other fields of the <tt>State_Chm</tt> object can be added to this collection by prefixing the field name with <tt>Chem_</tt>.
 +
*Please see our ''[[Legend for History diagnostics]]'' page for more information about each of the collection tags.
  
 
   StateChm.template:          '%y4%m2%d2_%h2%n2z.nc4',
 
   StateChm.template:          '%y4%m2%d2_%h2%n2z.nc4',
Line 471: Line 863:
  
 
The table below describes diagnostic quantities belonging to the StateChm collection.
 
The table below describes diagnostic quantities belonging to the StateChm collection.
 
+
*''NOTE: '''fullchem''' refers to all simulations that use [[GEOS-Chem_chemistry_mechanisms#Mechanisms_for_GEOS-Chem_v11-02|a full-chemistry mechanism]] (i.e. benchmark, complexSOA*, standard, tropchem. aciduptake, marinePOA, RRTMG, TOMAS).''
''NOTE: '''All fullchem''' refers to all simulations that use [[GEOS-Chem_chemistry_mechanisms#Mechanisms_for_GEOS-Chem_v11-02|a full-chemistry mechanism]] (i.e. benchmark, complexSOA*, standard, tropchem. aciduptake, marinePOA, RRTMG, TOMAS).''
+
  
 
{| border=1 cellspacing=0 cellpadding=5  
 
{| border=1 cellspacing=0 cellpadding=5  
Line 481: Line 872:
 
!width="80px"|Wildcards
 
!width="80px"|Wildcards
 
!width="150px"|Simulations
 
!width="150px"|Simulations
 +
!width="175px"|Notes
 
!width="100px"|[[List of diagnostics archived to bpch format|Bpch equiv.]]
 
!width="100px"|[[List of diagnostics archived to bpch format|Bpch equiv.]]
!width="150px"|Notes
 
  
 
|-valign="top"
 
|-valign="top"
Line 490: Line 881:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND73:_ISORROPIA_diagnostics|ND73 #1]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND73:_ISORROPIA_diagnostics|ND73 #1]]
  
 
|-valign="top"
 
|-valign="top"
Line 501: Line 892:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND73:_ISORROPIA_diagnostics|ND73 #2]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND73:_ISORROPIA_diagnostics|ND73 #2]]
  
 
|-valign="top"
 
|-valign="top"
Line 512: Line 903:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 
|
 
|
*[[List_of_diagnostics_archived_to_bpch_format#ND73:_ISORROPIA_diagnostics|ND73 #3]]
 
 
|
 
|
 +
*[[List_of_diagnostics_archived_to_bpch_format#ND73:_ISORROPIA_diagnostics|ND73 #3]]
  
 
|-valign="top"  
 
|-valign="top"  
Line 523: Line 914:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 
|
 
|
 
|
 
|
Line 533: Line 924:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 
|
 
|
 
|
 
|
Line 543: Line 934:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 
|
 
|
 
|
 
|
Line 553: Line 944:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 
|
 
|
 
|
 
|
Line 563: Line 954:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 
|
 
|
 +
*<span style="color:darkgreen">'''Added in 12.0.0'''</span>
 
|
 
|
*New in v11-02
 
  
 
|-valign="top"
 
|-valign="top"
Line 574: Line 965:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 
|
 
|
 +
*<span style="color:darkgreen">'''Added in 12.0.0'''</span>
 
|
 
|
*New in v11-02
 
  
 
|-valign="top"
 
|-valign="top"
Line 585: Line 976:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 
|
 
|
 +
*<span style="color:darkgreen">'''Added in 12.0.0'''</span>
 
|
 
|
*New in v11-02
 
  
 
|-valign="top"
 
|-valign="top"
Line 596: Line 987:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 
|
 
|
 +
*<span style="color:darkgreen">'''Added in 12.0.0'''</span>
 
|
 
|
*New in v11-02
 
  
 
|-valign="top"
 
|-valign="top"
Line 607: Line 998:
 
|
 
|
 
|
 
|
*all fullchem
+
*fullchem
 
|
 
|
 +
*<span style="color:darkgreen">'''Added in 12.0.0'''</span>
 
|
 
|
*New in v11-02
 
  
 
|}
 
|}
  
--[[User:Bmy|Bob Yantosca]] ([[User talk:Bmy|talk]]) 19:55, 17 May 2018 (UTC)
+
 
 +
----
 +
'''''[[History collections for budgets|Previous]] | [[History collections for convection and wet deposition|Next]] | [[Guide to GEOS-Chem History diagnostics]]'''''

Revision as of 13:49, 13 August 2022

Previous | Next | Guide to GEOS-Chem History diagnostics

  1. Overview of History diagnostics
  2. Legend for History diagnostics
  3. Collections for History diagnostics
  4. History collections for advection and mixing
  5. History collections for aerosols
  6. History collections for budgets
  7. History collections for chemistry and photolysis
  8. History collections for convection and wet deposition
  9. History collections for dry deposition
  10. History collections for mercury and POPs
  11. History collections for met fields and related quantities
  12. History collections for methane
  13. History collections for species concentrations
  14. History collections for TransportTracers
  15. History collections for CO2
  16. Replicating the behavior of the prior timeseries diagnostics
  17. Adding new History diagnostics


The ConcAfterChem collection

The ConcAfterChem collection contains diagnostics for OH, HO2, etc. species immediately upon exiting the FlexChem solver.

Here is a sample definition section for the ConcAfterChem collection.

  • If this collection is not already present in the HISTORY.rc file in the GEOS-Chem run directory for your selected simulation, you can copy and paste this into your HISTORY.rc file and edit accordingly.
  • To prevent an individual field from being included in the diagnostic output, place a comment character # in front of the field name.
  • Please see our Legend for History diagnostics page for more information about each of the collection tags.
  ConcAfterChem.template:     '%y4%m2%d2_%h2%n2z.nc4',
  ConcAfterChem.format:       'CFIO',
  ConcAfterChem.frequency:    00000100 000000
  ConcAfterChem.duration:     00000100 000000
  ConcAfterChem.mode:         'time-averaged'
  ConcAfterChem.fields:       'OHconcAfterChem                ', 'GIGCchem',  
                              'HO2concAfterChem               ', 'GIGCchem',  
                              'O1DconcAfterChem               ', 'GIGCchem',  
                              'O3PconcAfterChem               ', 'GIGCchem',  
                              'O3concAfterChem                ', 'GIGCchem',  
                              'RO2concAfterChem               ', 'GIGCchem',  
::

This table describes the diagnostic quantities belonging to the ConcAfterChem collection:


Diagnostic name Description Units Wildcards Simulations Notes Bpch equiv.
OHconcAfterChem OH concentration immediately after exiting the FlexChem solver molec/cm3
  • fullchem
  • CH4
HO2concAfterChem HO2 concentration immediately after exiting the FlexChem solver v/v
  • fullchem
O1DconcAfterChem O1D concentration immediately after exiting the FlexChem solver molec/cm3
  • fullchem
O3PconcAfterChem O3P concentration immediately after exiting the FlexChem solver molec/cm3
  • fullchem
O3concAfterChem O3 concentration immediately after exiting the FlexChem solver molec/cm3
  • fullchem
  • None
RO2concAfterChem RO2 concentration immediately after exiting the FlexChem solver molec/cm3
  • fullchem
  • None

The JValues collection

The JValues collection contains diagnostics for photolysis rates for various chemical species, obtained from the FAST-JX photolysis mechanism.

Here is a sample definition section for the JValues collection.

  • If this collection is not already present in the HISTORY.rc file in the GEOS-Chem run directory for your selected simulation, you can copy and paste this into your HISTORY.rc file and edit accordingly.
  • To prevent an individual field from being included in the diagnostic output, place a comment character # in front of the field name.
  • Please see our Legend for History diagnostics page for more information about each of the collection tags.
  JValues.template:           '%y4%m2%d2_%h2%n2z.nc4',
  JValues.format:             'CFIO',
  JValues.frequency:          00000000 010000
  JValues.duration:           00000000 010000
  JValues.mode:               'instantaneous'
  JValues.fields:             'Jval_?PHO?                    ', 'GIGCchem',
::

This table describes the diagnostic quantities belonging to the JValues collection:

Diagnostic name Description Units Wildcards Simulations Notes Bpch equiv.
Jval_<spcname> Photolysis rates 1/s
  • ?PHO?
  • fullchem
JvalO3O1D Photolysis rate of O3 -> O1D 1/s
  • fullchem
  • Added in 13.0.0
JvalO3O3P Photolysis rate of O3 -> O3P 1/s
  • fullchem
  • Added in 13.0.0

The KppDiags collection

The KppDiags collection contains KPP solver diagnostics. You can leave this collection disabled unless you are interested in assessing the solver's performance.

Here is a sample definition section for the KppDiags collection.

  • If this collection is not already present in the HISTORY.rc file in the GEOS-Chem run directory for your selected simulation, you can copy and paste this into your HISTORY.rc file and edit accordingly.
  • To prevent an individual field from being included in the diagnostic output, place a comment character # in front of the field name.
  • Please see our Legend for History diagnostics page for more information about each of the collection tags.
 KppDiags.template:          '%y4%m2%d2_%h2%n2z.nc4',
 KppDiags.format:            'CFIO',
 KppDiags.frequency:         010000
 KppDiags.duration:          010000
 KppDiags.mode:              'time-averaged'
 KppDiags.fields:            'KppIntCounts                  ', 'GIGCchem',
                             'KppJacCounts                  ', 'GIGCchem',
                             'KppTotSteps                   ', 'GIGCchem',
                             'KppAccSteps                   ', 'GIGCchem',
                             'KppRejSteps                   ', 'GIGCchem',
                             'KppLuDecomps                  ', 'GIGCchem',
                             'KppSubsts                     ', 'GIGCchem',
                             'KppSmDecomps                  ', 'GIGCchem',
::

This table describes the diagnostic quantities belonging to the JValues collection:

  • NOTE: fullchem refers to all simulations that use a full-chemistry mechanism (i.e. benchmark, complexSOA*, standard, tropchem. aciduptake, marinePOA, RRTMG, TOMAS).
Diagnostic name Description Units Wildcards Simulations Notes Bpch equiv.
KppIntCounts Number of times the KPP integrator was called count
  • fullchem
  • Added in 12.7.0
KppJacCounts Number of times the Jacobian matrix was constructed count
  • fullchem
  • Added in 12.7.0
KppTotSteps Total number of integration timesteps count
  • fullchem
  • Added in 12.7.0
KppAccSteps Number of accepted integration timesteps count
  • fullchem
  • Added in 12.7.0
KppRejSteps Number of rejected integration timesteps count
  • fullchem
  • Added in 12.7.0
KppLuDecomps Number of LU decompositions performed count
  • fullchem
  • Added in 12.7.0
KppSubsts Number of matrix substitutions performed. Includes forward and backward substitutions. count
  • fullchem
  • Added in 12.7.0
KppSmDecomps Number of singular matrix decopositions performed.
  • NOTE: For Rosenbrock solvers, this will be zero everywhere, because the Rosenbrock method utilizes LU decomposition.
count
  • fullchem
  • Added in 12.7.0

The Metrics collection

The Metrics collection contains diagnostics for computing OH metrics from a GEOS-Chem full chemistry simulation. To compute the OH metrics, you must run the Python script metrics.py that ships with each fullchem or CH4 run directory.

Here is a sample definition section for the JValues collection.

  • If this collection is not already present in the HISTORY.rc file in the GEOS-Chem run directory for your selected simulation, you can copy and paste this into your HISTORY.rc file and edit accordingly.
  • To prevent an individual field from being included in the diagnostic output, place a comment character # in front of the field name.
  • Please see our Legend for History diagnostics page for more information about each of the collection tags.
  Metrics.template:    '%y4%m2%d2_%h2%n2z.nc4',
  Metrics.format:      'CFIO',
  Metrics.frequency:   'End',
  Metrics.duration:    'End',
  Metrics.mode:        'time-averaged'
  Metrics.fields:      'AirMassColumnFull             ', 'GIGCchem',
                       'CH4emission                   ', 'GIGCchem',
                       'CH4massColumnFull             ', 'GIGCchem'
                       'CH4massColumnTrop             ', 'GIGCchem',
                       'LossOHbyCH4columnTrop         ', 'GIGCchem',
                       'LossOHbyMCFcolumnTrop         ', 'GIGCchem',
                       'OHwgtByAirMassColumnFull      ', 'GIGCchem',
::

The table below describes diagnostic quantities belonging to the ProdLoss collection.

Diagnostic name Description Units Wildcards Simulations Notes Bpch equiv.
AirMassColumnFull Air mass, full atmosphere column sums kg
  • fullchem
  • CH4
  • tagCH4
  • Added in 13.0.0
LossOHbyCH4columnTrop Loss rate of CH4 by OH, tropospheric column sums molec cm-3
  • fullchem
  • CH4
  • tagCH4
  • Added in 13.0.0
LossOHbyMCFcolumnTrop Loss rate of CH3CCl3 (aka MCF) by OH, tropospheric column sums molec cm-3
  • fullchem
  • CH4
  • tagCH4
  • Added in 13.0.0
OHwgtByAirMassColumnFull Airmass-weighted mean OH concentration, full-atmosphere column sums kg air kg OH m-3
  • fullchem
  • CH4
  • tagCH4
  • Added in 13.0.0
Diagnostics applicable only to the CH4 or tagCH4 simulations
CH4emission CH4 emission, used for computing OH metrics kg s-1
  • CH4
  • tagCH4
  • Added in 13.0.0
CH4massColumnFull Airmass-weighted CH4 concentration, full-atmosphere column sums kg air kg CH4 m-3
  • CH4
  • tagCH4
  • Added in 13.0.0
CH4massColumnTrop Airmass-weighted CH4 concentration, troposphere-only column sums kg air kg CH4 m-3
  • CH4
  • tagCH4
  • Added in 13.0.0

The ProdLoss Collection

The ProdLoss collection contains chemical production and loss rates.

Here is a sample definition section for the ProdLoss collection.

  • If this collection is not already present in the HISTORY.rc file in the GEOS-Chem run directory for your selected simulation, you can copy and paste this into your HISTORY.rc file and edit accordingly.
  • To prevent an individual field from being included in the diagnostic output, place a comment character # in front of the field name.
  • Please see our Legend for History diagnostics page for more information about each of the collection tags.
  • NOTE: This example is for the benchmark simulation. Some quantities in this collection are not applicable to certain simulations.
  ProdLoss.template:          '%y4%m2%d2_%h2%n2z.nc4',
  ProdLoss.format:            'CFIO',
  ProdLoss.frequency:         00000100 000000
  ProdLoss.duration:          00000100 000000
  ProdLoss.mode:              'time-averaged'
  ProdLoss.fields:            'Prod_?PRD?                    ', 'GIGCchem', 
                              'ProdBCPIfromBCPO              ', 'GIGCchem', 
                              'ProdOCPIfromOCPO              ', 'GIGCchem',
                              'ProdSO4fromH2O2inCloud        ', 'GIGCchem',
                              'ProdSO4fromO2inCloudMetal     ', 'GIGCchem',
                              'ProdSO4fromO3inCloud          ', 'GIGCchem',
                              'ProdSO4fromO3inSeaSalt        ', 'GIGCchem',
                              'ProdSO4fromHOBrInCloud        ', 'GIGCchem',
                              'ProdSO4fromSRO3               ', 'GIGCchem',
                              'ProdSO4fromSRHObr             ', 'GIGCchem',
                              'ProdSO4fromO3s                ', 'GIGCchem',
                              'Loss_?LOS?                    ', 'GIGCchem',
                              'LossHNO3onSeaSalt             ', 'GIGCchem',
                              'ProdCOfromCH4                 ', 'GIGCchem',
                              'ProdCOfromNMVOC               ', 'GIGCchem',
::

The table below describes diagnostic quantities belonging to the ProdLoss collection.

  • NOTE: fullchem refers to all simulations that use a full-chemistry mechanism (i.e. benchmark, complexSOA*, standard, tropchem. aciduptake, marinePOA, RRTMG, TOMAS).
Diagnostic name Description Units Wildcards Simulations Notes Bpch equiv.
Diagnostics applicable only to the fullchem simulation with the aciduptake option
ProdSO4fromOxidationOnDust Production of SO4 from oxidation on dust aerosols kg S/s
  • fullchem w/ aciduptake
ProdNITfromHNO3uptakeOnDust Production of NIT from HNO3 uptake on dust aerosols kg N/s
  • fullchem w/ aciduptake
ProdSO4fromUptakeOfH2SO4g Production of SO4 from uptake of H2SO4(g) kg S/s
  • fullchem w/ aciduptake
Diagnostics applicable only to the aerosol-only simulation
ProdSO2fromDMSandOH Production of SO2 from DMS + OH (in sulfate_mod.F) kg S/s
  • aerosol-only
ProdSO2fromDMSandNO3 Production of SO2 from DMS + NO3R kg S/s
  • aerosol-only
ProdSO2fromDMS Total P(SO2) from DMS kg S/s
  • aerosol-only
ProdMSAfromDMS Production of MSA from DMS kg S/s
  • aerosol-only
ProdSO4fromGasPhase Production of SO4 in the gas phase kg S/s
  • aerosol-only
Diagnostics applicable only to the aerosol-only and fullchem simulations
ProdBCPIfromBCPO Production of hydrophilic BC from hydrophobic BCs kg
  • aerosol-only
  • fullchem
ProdOCPIfromOCPO Production of hydrophilic BC from hydrophobic BCs kg
  • aerosol-only
  • fullchem
ProdSO4fromH2O2inCloud Production of SO4 from aqueous oxidation of H2O2 in clouds kg S/s
  • aerosol-only
  • fullchem
ProdSO4fromO2inCloudMetal Production of SO4 from aqueous oxidation of O2 from metals in cloud kg S/s
  • aerosol-only
  • fullchem
ProdSO4fromO3inCloud Production of SO4 from aqueous oxidation of O3 in clouds kg S/s
  • aerosol-only
  • fullchem
ProdSO4fromO3inSeaSalt Production of SO4 from O3 in sea salt kg S/s
  • aerosol-only
  • fullchem
ProdSO4fromO3s Production of SO4 from aqueous phase SO3-- loss by OH kg S/s
  • aerosol-only
  • fullchem
ProdSO4fromSRO3 Production of SO4 from sulfur production rate of O3 kg S/s
  • aerosol-only
  • fullchem
LossHNO3onSeaSalt Loss of HNO3 on sea salt aerosols kg S/s
  • aerosol-only
  • fullchem
Diagnostics applicable only to full-chemistry simulations
ProdSO4fromHOBrinCloud Production of SO4 from aqueous oxidation of HOBr in clouds kg S/s
  • fullchem
  • Added in 12.0.0
ProdSO4fromSRHOBr Production of SO4 from sulfur production rate of HOBr+O3 kg S/s
  • fullchem
  • Added in 12.0.0
ProdCOfromCH4 Production of CO from CH4 molec cm-3 s-1
  • fullchem
  • Added in 12.0.0
ProdCOfromNMVOC Production of CO from NMVOCs molec cm-3 s-1
  • fullchem
  • Added in 12.0.0
Diagnostics for production and loss of species or chemical families (e.g. Ox)
Prod_<spcname> Chemical production for a given species or family molec/cm3/s
  • ?PRD?
  • fullchem
  • tagCO
  • tagO3
Loss_<spcname> Chemical loss for a given species or family molec/cm3/s
  • ?LOS?
  • fullchem
  • tagCO
  • tagO3

The RxnRates Collection

The RxnRates collection contains reaction rates from the chemical mechanism (as computed by the KPP-generated solver code). For example, in the case of the NO + O3 → NO2 + O2 reaction the returned quantity is k[NO][O3] in molec/cm3/s.

Here is a sample definition section for the RxnRates collection.

  • If this collection is not already present in the HISTORY.rc file in the GEOS-Chem run directory for your selected simulation, you can copy and paste this into your HISTORY.rc file and edit accordingly.
  • To prevent an individual field from being included in the diagnostic output, place a comment character # in front of the field name.
  • Please see our Legend for History diagnostics page for more information about each of the collection tags.
 #
 # It is best to list individual reactions to avoid using too much memory.
 # Reactions should be listed as "RxnRate_EQnnn", where nnn is the reaction
 # index as listed in KPP/fullchem/gckpp_Monitor.F90 or KPP/Hg/gckpp_monitor.F90
 # (pad zeroes as needed)
 #
 RxnRates.template:   '%y4%m2%d2_%h2%n2z.nc4',
 RxnRates.frequency:  00000000 010000
 RxnRates.duration:   00000000 010000
 RxnRates.mode:       'time-averaged'
 RxnRates.fields:     'RxnRate_EQ001                           ',
                      'RxnRate_EQ002                           ',


The table below describes diagnostic quantities belonging to the ProdLoss collection.

  • NOTE: fullchem refers to all simulations that use a full-chemistry mechanism (i.e. benchmark, complexSOA*, standard, tropchem. aciduptake, marinePOA, RRTMG, TOMAS).
Diagnostic name Description Units Wildcards Simulations Notes Bpch equiv.
Diagnostics applicable only to the fullchem simulation with the aciduptake option
RxnRate_EQnnn Rate for reaction nnn (see gckpp_Monitor.F90 for the reaction number. molec/cm3/s
  • fullchem
  • Hg (in 13.4.0 and later)

The StateChm Collection

The StateChm collection contains quantities from State_Chm, the Chemistry state object (other than the species concentrations, which are stored in the SpeciesConc collection).

Here is a sample definition section for the StateChm collection.

  • If this collection is not already present in the HISTORY.rc file in the GEOS-Chem run directory for your selected simulation, you can copy and paste this into your HISTORY.rc file and edit accordingly.
  • To prevent an individual field from being included in the diagnostic output, place a comment character # in front of the field name.
  • Other fields of the State_Chm object can be added to this collection by prefixing the field name with Chem_.
  • Please see our Legend for History diagnostics page for more information about each of the collection tags.
  StateChm.template:          '%y4%m2%d2_%h2%n2z.nc4',
  StateChm.format:            'CFIO',
  StateChm.frequency:         00000100 000000
  StateChm.duration:          00000100 000000
  StateChm.mode:              'time-averaged'
  StateChm.fields:            'Chem_phSav                    ', 'GIGCchem',  
                              'Chem_HplusSav                 ', 'GIGCchem',  
                              'Chem_WaterSav                 ', 'GIGCchem',  
                              'Chem_SulRatSav                ', 'GIGCchem',  
                              'Chem_NaRatSav                 ', 'GIGCchem',  
                              'Chem_AcidPurSav               ', 'GIGCchem',  
                              'Chem_BiSulSav                 ', 'GIGCchem',
                              'Chem_pHCloud                  ', 'GIGCchem',
                              'Chem_SSAlk',                  ', 'GIGCchem',
                              'Chem_HSO3AQ                   ', 'GIGCchem',
                              'Chem_SO3AQ                    ', 'GIGCchem',
                              'Chem_fupdateHOBr              ', 'GIGCchem',
::

The table below describes diagnostic quantities belonging to the StateChm collection.

  • NOTE: fullchem refers to all simulations that use a full-chemistry mechanism (i.e. benchmark, complexSOA*, standard, tropchem. aciduptake, marinePOA, RRTMG, TOMAS).
Diagnostic name Description Units Wildcards Simulations Notes Bpch equiv.
Chem_phSav ISORROPIA aerosol pH 1
  • fullchem
Chem_HplusSav ISORROPIA H+ concentration M
  • fullchem
Chem_WaterSav ISORROPIA aerosol water μg/m3
  • fullchem
Chem_SulRatSav ISORROPIA sulfate concentration M
  • fullchem
Chem_NaRatSav ISORROPIA Na+ concentration M
  • fullchem
Chem_AcidPurSav ISORROPIA acidpur ?? concentration M
  • fullchem
Chem_BiSulSav ISORROPIA bisulfate (general acid) concentration M
  • fullchem
Chem_phCloud Cloud PH 1
  • fullchem
  • Added in 12.0.0
Chem_SSAlk Sea salt alkalinity 1
  • fullchem
  • Added in 12.0.0
Chem_HSO3AQ Cloud bisulfite concentration mol/L
  • fullchem
  • Added in 12.0.0
Chem_SO3AQ Cloud sulfite concentration mol/L
  • fullchem
  • Added in 12.0.0
Chem_fupdateHOBr Correction factor for HOBr removal by SO2 mol/L
  • fullchem
  • Added in 12.0.0



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