From 927f625d56c711a95eb776ef8c5b79db73b0ffc6 Mon Sep 17 00:00:00 2001 From: Bob Yantosca Date: Mon, 28 Feb 2022 10:05:02 -0500 Subject: [PATCH 1/2] Restrict versions of python packages in docs/requirements.txt ReadTheDocs now appears to use sphinx v4.0.0 and sphinx-rtd-theme 1.0.0, which cause issues in rendering the page output. We have edited docs/requirements.txt to put restrictions on the version numbers of python packages to avoid issues in rendering the ReST format to HTML. Signed-off-by: Bob Yantosca --- docs/requirements.txt | 13 +++++++++---- 1 file changed, 9 insertions(+), 4 deletions(-) diff --git a/docs/requirements.txt b/docs/requirements.txt index 860e3a23..cbdc524a 100644 --- a/docs/requirements.txt +++ b/docs/requirements.txt @@ -1,5 +1,10 @@ -# Requirements for building the GCHP documentation -sphinx -sphinx_rtd_theme -sphinxcontrib-bibtex +# Requirements for building the HEMCO documentation +# +# NOTE: There are issues with sphinx 4.0.0+ and sphinx-rtd-theme 1.0.0 +# so we'll use older versions (Bob Yantosca, 28 Feb 2022) +# +sphinx<4.0.0 +sphinx_rtd_theme<1.0.0 +sphinxcontrib-bibtex==2.2.0 recommonmark +docutils==0.16 From 5497d86b52949c3e8e7601ad1bd85220c58e73b6 Mon Sep 17 00:00:00 2001 From: Haipeng Lin Date: Sun, 13 Mar 2022 22:26:18 -0400 Subject: [PATCH 2/2] Add documentation on HEMCO within GEOS-Chem; coupling HEMCO; fix references --- docs/source/conf.py | 2 +- docs/source/coupling/intro.rst | 331 ++++++++++++++++++ .../source/getting-started/key-references.rst | 4 +- docs/source/getting-started/requirements.rst | 2 +- docs/source/hemco.bib | 114 ++++++ docs/source/images/lin-et-al-2021-fig2.png | Bin 0 -> 86625 bytes docs/source/index.rst | 14 +- docs/source/user-guide-gc/intro.rst | 9 + docs/source/user-guide/rundir-config.rst | 5 +- 9 files changed, 476 insertions(+), 5 deletions(-) create mode 100644 docs/source/coupling/intro.rst create mode 100644 docs/source/hemco.bib create mode 100644 docs/source/images/lin-et-al-2021-fig2.png create mode 100644 docs/source/user-guide-gc/intro.rst diff --git a/docs/source/conf.py b/docs/source/conf.py index e316a016..40c43e3a 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -69,7 +69,7 @@ def format_web_refs(self, e): bibtex_bibliography_header = ".. rubric:: References" bibtex_footbibliography_header = bibtex_bibliography_header -bibtex_bibfiles = ['geos-chem-shared-docs/geos-chem.bib'] +bibtex_bibfiles = ['hemco.bib', 'geos-chem-shared-docs/geos-chem.bib'] # List of patterns, relative to source directory, that match files and diff --git a/docs/source/coupling/intro.rst b/docs/source/coupling/intro.rst new file mode 100644 index 00000000..e7fc17b3 --- /dev/null +++ b/docs/source/coupling/intro.rst @@ -0,0 +1,331 @@ + +Coupling HEMCO to other models +=============================== + +This page details technical information useful for developers who wish to couple the HEMCO ("Harmonized" Emissions Component) emissions component to other models. + +The description of HEMCO coupling to other models is available in :cite:`Lin_et_al._2021`, which describes coupling to GEOS-Chem "Classic", GCHP, WRF-GC, CESM2-GC, and future NOAA models. + + +********* +Overview +********* + +This work is made possible by a restructuring of HEMCO, named HEMCO 3.0. HEMCO 3.0 separates model-specific components such as I/O, Regridding and the model speciation interface, into modular components, and isolate the HEMCO emissions Core. + +This work is currently being actively worked on by the GEOS-Chem Support Team and Haipeng Lin (Harvard) as part of coupling GEOS-Chem with the CESM model. + +**************** +Useful resources +**************** + +* HEMCO Repository: `geoschem/HEMCO `__ on GitHub. +* Original description paper: :cite:`Keller_et_al._2014`. +* Coupling and HEMCO 3.0 description paper: :cite:`Lin_et_al._2021`. +* `The HEMCO User's Guide `__ +* `HEMCO versions `__ + +*********** +Terminology +*********** + +As part of the HEMCO 3.0 restructuring, "HEMCO" is now divided into three pieces depending on their function: + +* **The HEMCO Core.** Emissions calculations logic, containers, data types, etc. +* **Data Input Layer.** I/O (previously ``HCOIO_Read/Write_*_Mod``), Regridding (``HCO_MESSY_REGRID``, ``HCO_INTERP_MOD``), ... This will be rearranged into ``Regrid/`` and ``IO/`` folders in a future version. Right now due to dependencies, some of these files still live in the ``Core/``. +* **Model Interface Layer.** Code that couples HEMCO with other models. There are common utilities available at ``Interfaces/HCO_Interface_Common.F90``. + +.. note:: + Note that not all code pertinent to model coupling actually lives inside of HEMCO; this is by design, as data types that are external to HEMCO (i.e. GEOS-Chem types such as ``State_Met``, CESM types such as ``physics_state``, WRF types such as ``domain``) must be maintained with the model and not inside HEMCO. Some code lives in :file:`Interfaces/`, and some will live inside the model. + +********************************** +Technical Notes (Data Input Layer) +********************************** + +TBD + +**************************************** +Technical Notes (Model Interface Layer) +**************************************** + +HEMCO 3.0 Model Interface Layer Overview +----------------------------------------- + +In order to interface HEMCO with the target model, there are a few primary tasks that need to be performed as outlined below. + +Data/code that needs to be provided to HEMCO based on the target model's data structures include: + +* The clock and time-step of the target model +* List of species and physical properties (molecular weight required; other properties such as Henry's law constants are optional, only for extensions such as SeaFlux) +* Grid information (``I``, ``J``, ``L`` atmospheric '0-D box' dimensions required; if using HEMCO built-in regrid, then specifics are needed. See below) + +Data/code that needs to be **retrieved from HEMCO** into the target model's data structures (i.e. state object for constituent flux/concentrations) include: + +* Emissions fluxes (kg/m2/s format) retrieved from HEMCO, aggregated per species ID, for current time step +* Other data retrieved from HEMCO (using ``HCO_GetPtr`` or ``HCO_EvalFld``) + +.. note:: + Avoid calling HEMCO functions directly from outside of a specific module designed to interface HEMCO with the model. This is so the interface can be updated more easily if subroutines within HEMCO such as ``HCO_GetPtr`` change, and the HEMCO state (``HcoState``) doesn't need to be passed to everywhere in your model that needs to retrieve data from HEMCO. **It is also useful so regridding to/from HEMCO can be performed in a centralized location, if so needed by the model.** For example, GEOS-Chem wraps ``HCO_GetPtr`` and ``HCO_EvalFld`` into its own interface, ``HCO_GC_GetPtr``, ``HCO_GC_EvalFld``, which will auto-magically add the ``HcoState`` argument, in addition to handling regridding if necessary. + +Things that come out-of-the-box and generally do not require customization to a specific model: + +* Reading configuration file (:file:`HEMCO_Config.rc`), although the path needs to be specified +* HEMCO "driver" (run) routines +* Managing HEMCO memory (initializing HEMCO state in ``HcoState``, extensions state in ``ExtState``, etc.) + +Reading the HEMCO configuration file and defining species list +--------------------------------------------------------------- + +This is a three-step process. First initialize the configuration object (``HcoConfig``): + +.. code-block:: fortran + + call ConfigInit(HcoConfig, HMRC, nModelSpecies=nSpc) + +You have to register the species first in addition to some other HcoConfig properties: + +.. code-block:: fortran + + HcoConfig%amIRoot = masterproc + HcoConfig%MetField = 'MERRA2' + HcoConfig%GridRes = '' + HcoConfig%nModelSpc = nHcoSpc + HcoConfig%nModelAdv = nHcoSpc ! # of adv spc? + + do N = 1, nHcoSpc + HcoConfig%ModelSpc(N)%ModID = N ! model id + HcoConfig%ModelSpc(N)%SpcName = trim(solsym(N)) + enddo + +Then open the configuration file in two phases; after phase 1, initialize the log file on the MPI root process: + +.. code-block:: fortran + + call Config_ReadFile(HcoConfig%amIRoot, HcoConfig, HcoConfigFile, 1, HMRC, IsDryRun=.false.) + + ! Open the log file + if(masterproc) then + call HCO_LOGFILE_OPEN(HcoConfig%Err, RC=HMRC) + endif + + call Config_ReadFile(HcoConfig%amIRoot, HcoConfig, HcoConfigFile, 2, HMRC, IsDryRun=.false.) + +.. warning:: + **Note that the species count has to be populated three times.** Once above at ``ConfigInit``, and twice inside the *initialized HEMCO Config object*. + +Some species physical properties need to be defined for HEMCO extensions, such as molecular weight and henry's law constants: + +.. code-block:: fortran + + !----------------------------------------------------------------------- + ! Register HEMCO species information (HEMCO state object) + !----------------------------------------------------------------------- + do N = 1, nHcoSpc + HcoState%Spc(N)%ModID = N ! model id + HcoState%Spc(N)%SpcName = trim(solsym(N)) ! species name + HcoState%Spc(N)%MW_g = adv_mass(N) ! mol. weight [g/mol] + + ! HcoState%Spc(N)%HenryK0 ! [M/atm] + ! HcoState%Spc(N)%HenryCR ! [K] + ! HcoState%Spc(N)%HenryPKA ! [1] + enddo + +.. note:: + If you are not using HEMCO extensions, only ``ModID``, ``SpcName`` and ``MW_g`` need to be defined. + +Defining Grid +------------- + +Define atmospheric column numbers +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +.. code-block:: fortran + + HcoState%NX = my_IM + HcoState%NY = my_JM + HcoState%NZ = LM + +Define the vertical grid +^^^^^^^^^^^^^^^^^^^^^^^^^ + +There are many ways of defining the vertical discretization. Check ``HCO_VertGrid_Define``. + +.. code-block:: fortran + + ! Pass Ap, Bp values, units [Pa], [unitless] + call HCO_VertGrid_Define(HcoState%Config, & + zGrid = HcoState%Grid%zGrid, & + nz = HcoState%NZ, & + Ap = Ap, & + Bp = Bp, & + RC = HMRC) + +Define horizontal grid parameters +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +.. note:: + HEMCO **requires HORIZONTAL grid information only if it is using internal regridding routines**, i.e. ``MAP_A2A`` or MESSy. Otherwise, this can be filled with dummy information. + +.. warning:: + If HEMCO internal regridding (``MAP_A2A``) regridding routines are used, **only rectilinear grids are supported.** + + This is because ``XMid``, ``YMid``, ... arrays are **1-dimensional** and thus curvilinear coordinates cannot be stored. The underlying ``MAP_A2A`` algorithm **can** handle curvilinear; it is just due to the data structure. This will be fixed in a future HEMCO version. + +.. code-block:: fortran + + ! Point to grid variables + HcoState%Grid%XMID%Val => XMid (my_IS:my_IE , my_JS:my_JE ) + HcoState%Grid%YMID%Val => YMid (my_IS:my_IE , my_JS:my_JE ) + HcoState%Grid%XEdge%Val => XEdge (my_IS:my_IE+1, my_JS:my_JE ) + HcoState%Grid%YEdge%Val => YEdge (my_IS:my_IE , my_JS:my_JE+1) + HcoState%Grid%YSin%Val => YSin (my_IS:my_IE , my_JS:my_JE+1) + HcoState%Grid%AREA_M2%Val => AREA_M2(my_IS:my_IE , my_JS:my_JE ) + +Here we point HEMCO's variables to structures we have created in the model. Examples in how to create these structures are available `in the HEMCO-CESM interface `__. + +Defining Met Fields for HEMCO Extensions +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +An example to translate and define meteorological quantities such as temperature, humidity, etc. is available `in the HEMCO-CESM interface `__. + +Running HEMCO +-------------- + +Prerequisites: + +.. code-block:: fortran + + ! HEMCO + use HCO_Interface_Common, only: GetHcoVal, GetHcoDiagn + use HCO_Clock_Mod, only: HcoClock_Set, HcoClock_Get + use HCO_Clock_Mod, only: HcoClock_EmissionsDone + use HCO_Diagn_Mod, only: HcoDiagn_AutoUpdate + use HCO_Driver_Mod, only: HCO_Run + use HCO_EmisList_Mod, only: Hco_GetPtr + use HCO_FluxArr_Mod, only: HCO_FluxArrReset + use HCO_GeoTools_Mod, only: HCO_CalcVertGrid, HCO_SetPBLm + +Update the HEMCO clock +^^^^^^^^^^^^^^^^^^^^^^ + +Also make sure the time steps are set correctly. +Use from the common utilities: + +.. code-block:: fortran + + call HCOClock_Set(HcoState, year, month, day, & + hour, minute, second, IsEmisTime=.true., RC=HMRC) + + +Reset fluxes for new timestep +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +.. code-block:: fortran + + call HCO_FluxArrReset(HcoState, HMRC) + +Update vertical grid parameters +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +HEMCO needs an updated vertical grid at each time step. Data passed into ``HCO_CalcVertGrid`` can vary and the definition can be checked for acceptable parameters. + +.. code-block:: fortran + + call HCO_CalcVertGrid(HcoState, PSFC, ZSFC, TK, BXHEIGHT, PEDGE, HMRC) + + call HCO_SetPBLm(HcoState, PBLM=State_HCO_PBLH, & + DefVal=1000.0_hp, & ! default value + RC=HMRC) + +Some dummy setup (advanced) +^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +To document. + +.. code-block:: fortran + + ! Range of species and emission categories. + ! Set Extension number ExtNr to 0, indicating that the core + ! module shall be executed. + HcoState%Options%SpcMin = 1 + HcoState%Options%SpcMax = -1 + HcoState%Options%CatMin = 1 + HcoState%Options%CatMax = -1 + HcoState%Options%ExtNr = 0 + + ! Use temporary array? + HcoState%Options%FillBuffer = .FALSE. + +Run HEMCO driver +^^^^^^^^^^^^^^^^^^ + +.. code-block:: fortran + + call HCO_Run( HcoState, 1, HMRC, IsEndStep=.false. ) + call HCO_Run( HcoState, 2, HMRC, IsEndStep=.false. ) + +Run HEMCO extensions driver +^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Necessary only if you are using HEMCO extensions. + +.. code-block:: fortran + + call HCOX_Run(HcoState, ExtState, HMRC) + +Close timestep +^^^^^^^^^^^^^^^ + +.. code-block:: fortran + + !----------------------------------------------------------------------- + ! Update "autofill" diagnostics. + ! Update all 'AutoFill' diagnostics. This makes sure that all + ! diagnostics fields with the 'AutoFill' flag are up-to-date. The + ! AutoFill flag is specified when creating a diagnostics container + ! (Diagn_Create). + !----------------------------------------------------------------------- + call HcoDiagn_AutoUpdate(HcoState, HMRC) + + !----------------------------------------------------------------------- + ! Tell HEMCO we are done for this timestep... + !----------------------------------------------------------------------- + call HcoClock_EmissionsDone(HcoState%Clock, HMRC) + +Retrieving emissions data from HEMCO +-------------------------------------- +You can either use the common utilities, where data is retrieved using ``GetHcoValEmis``, or tap into the arrays directly. + +For generic data containers, pass the container name like so: + +.. code-block:: fortran + + ! For grabbing data from HEMCO Ptrs (uses HEMCO single-precision) + real(sp), pointer :: Ptr2D(:,:) + real(sp), pointer :: Ptr3D(:,:,:) + + logical :: FND + + call HCO_GetPtr(HcoState, 'CONTAINER_NAME', Ptr2D, HMRC, FOUND=FND) + +Retrieving deposition velocities (depv) from HEMCO +--------------------------------------------------- + +.. warning:: + **Important:** Note that deposition (sink terms) fluxes are handled separately from emissions in HEMCO. This is particularly important if you use HEMCO to calculate deposition terms, e.g. the sink term in ``SeaFlux`` (sea-air exchange). The standard in HEMCO is that the sink terms are stored as deposition velocities (``depv``, unit 1/s) so HEMCO generally does not need to be aware of concentrations. + +A thorough discussion of this is in `the HEMCO GitHub issue tracker `_. The code to handle deposition velocities from HEMCO is generally as follows: + +.. code-block:: fortran + + !------------------------------------------------------------------ + ! Also add drydep frequencies calculated by HEMCO (e.g. from the + ! air-sea exchange module) to DFLX. These values are stored + ! in 1/s. They are added in the same manner as the drydep freq values + ! from drydep_mod.F90. DFLX will be converted to kg/m2/s later. + ! (ckeller, 04/01/2014) + !------------------------------------------------------------------ + CALL GetHcoValDep( NA, I, J, L, found, dep ) + IF ( found ) THEN + dflx(I,J,NA) = dflx(I,J,NA) & + + ( dep * spc(I,J,NA) / (AIRMW / ThisSpc%MW_g) ) + ENDIF \ No newline at end of file diff --git a/docs/source/getting-started/key-references.rst b/docs/source/getting-started/key-references.rst index 9eb14c74..248f1dba 100644 --- a/docs/source/getting-started/key-references.rst +++ b/docs/source/getting-started/key-references.rst @@ -2,6 +2,8 @@ Key References ============== * GEOS-Chem was first described in :cite:`Bey_et_al._2001`. -* HEMCO is described in :cite:`Keller_et_al._2014`. +* HEMCO is described in :cite:`Keller_et_al._2014` and :cite:`Lin_et_al._2021`. + +Other references for GEOS-Chem are available on `the GEOS-Chem website `_ and a list of references for current HEMCO emission inventories is available in `Table 1 of Lin et al., 2021 `_. .. bibliography:: diff --git a/docs/source/getting-started/requirements.rst b/docs/source/getting-started/requirements.rst index 6ff9e12c..514d101d 100644 --- a/docs/source/getting-started/requirements.rst +++ b/docs/source/getting-started/requirements.rst @@ -111,7 +111,7 @@ netCDF) on your system. | `Intel | **The Intel | | `Install from | | Compiler Suite | Compiler Suite | | Intel cI&lwC3<6tI7ehJ^TN^uPQ4a}*zj#G4|KEP*Vxapw z#Kl^I;UA(jKd8{j*gKih32+K>81wK8&GR8cjt8HKY# zz>MH<_Ox>`^x&{_X8bn>SyN|YCrbwxOM5%ITa1QA_O31x3>ZrPS%R&@hY$aS*v|Q1 zjKZ*t%frxti-(h&%hvXGU4KVAyL>YJ-(>v9(avg~4yIh6Or7mros2R2VaE7xU<~j6 z`-yG`VyF>ScCy55ilL3Hy|JsUshx|WtONt5httH;MAXPw*i?|0&ya)1P>`F0&xD_c z!^n`|kVA;y$duQRo7>QopXc9r{u8_mzp(IYK^cKJaw5DuJaVsJ%gMfx<&%*Xkdc+) zeJ#iPZ&*b;XBR^|W7B`nZHbxtU$FfDEv%@Flc}MLy_1@~z0JR+K*hq|#opP%-hoa= z=62Ub=vXu??M&?5omp?U>7P~0nmSp!nVP(DvbUxC%V$x`|3Jh4-TME5H~D|%9~Xuw zu3KUGKZNJspD+@6`|p3L0;cg_%4BMX(I6*`s!TPd3}ZA9OXakiHL|O7}yRC4gL1*n}>%-c6N4pdU{Gq%IWDT`rf^xqoc=< 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z!dX$NkB#bIpVE6hv0rJIa894lt4W|#wz`S=jFxZ8bcZ_8;&9%NWz#b47XR8D*L|)o z%=H_yNZH(Hd`YHD8jN17v473mS$f>o(xY_7&GpX<-yD*(*5u&&4ZL#b^UNFeQOWh{ zUrx6cbn)sj9r>JUxnDlkHn2>8mD9%6FF7Q9HoLxDbt)oq`k61bJC3MzmrMjrYXHk$ uP>utyTmcOQgQxF6i(1H&$olo4Rf0igyJV4DW7tUsAn`__. + +You may also find Figure 2 in :cite:`Lin_et_al._2021` useful to understand the structure of the HEMCO configuration file, :file:`HEMCO_Config.rc`: + +.. image:: ../images/lin-et-al-2021-fig2.png + :width: 600 \ No newline at end of file diff --git a/docs/source/user-guide/rundir-config.rst b/docs/source/user-guide/rundir-config.rst index 275d1b53..26f74dc4 100644 --- a/docs/source/user-guide/rundir-config.rst +++ b/docs/source/user-guide/rundir-config.rst @@ -1,6 +1,6 @@ -Configuring a run directory +Configuring a Run Directory =========================== .. note:: @@ -30,6 +30,9 @@ HEMCO_Config.rc Contains emissions settings. This file is typically obtained from another model (e.g. GEOS-Chem). +.. note:: + An older version of the HEMCO User's Guide is available `on the GEOS-Chem Wiki `_, which includes more detailed information on configuring HEMCO emission inventories using the HEMCO configuration file, :file:`HEMCO_Config.rc`. + HEMCO_Diagn.rc Specifies which fields to save out to the HEMCO diagnostics file saved in :file:`OutputDir` by default. The frequency to save out diagnostics is controlled