1. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 1 Sparse Matrix Operator Kernel Emissions SMOKE Modeling System version 1.3 TRAINING http://envpro.ncsc.org/products/smoke

2. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 2 Training Overview l Emissions processing basics l SMOKE basics l SMOKE scripts l SMOKE programs and options l Overview lab l SMOKE inventory lab l SMOKE monthly lab l SMOKE daily lab l Quality assurance lab l SMOKE problem solving

3. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 3 About This Training l Specific to UNIX l Run SMOKE from scripts

4. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 4 Emissions Data Processing l Source categories l Definitions l Area emissions processing l Point emissions processing l Mobile emissions processing l Biogenic emissions processing l Merging l Quality assurance

5. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 5 Source Categories (1) l Area source characteristics – Country, state, county – Source category code (SCC) l Point source characteristics – Country, state, county, and… – Facility, stack, device, process (EMS-95) OR – Plant, stack, point, segment, SCC (NET/IDA or EPS)

6. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 6 Source Categories (2) l Mobile source characteristics – Country, state, county – Road type (e.g., rural interstate, urban local) – Vehicle type (e.g., light duty gasoline vehicles) – Link ID (optional) l Biogenic source characteristics – Country, state, county – Landuse type OR – Grid cell – Landuse type

7. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 7 Definitions (1) l Inventory pollutant: A compound or group of compounds defined for record keeping and regulatory purposes (e.g. CO, NO x, VOC, PM 10 ) l Species: A compound or group of compounds defined as part of the estimation of air chemistry in an air quality model (e.g., CO, NO, NO 2, PAR, ECC) l Chemical mechanism: A set of chemical species and their interactions used to represent air chemistry (e.g., CB-IV, RADM, SAPRAC)

8. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 8 Definitions (2) l Map projection: The mathematical representation of the spherical surface of the earth in 2-d l Model grid: A 2-d grid based on a map projection, defined by starting coordinates, number of grid cells in each direction, and the physical size of the grid cells l Model layers: Vertical spatial divisions defined by an air quality model because the atmosphere has varied characteristics in the vertical direction

9. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 9 Western 36-km cell domain for training:

10. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 10 Definitions (3) l Profile data: Factors used for disaggregating emissions data as is done during chemical speciation or temporal allocation l Cross-reference: A dataset used for matching sources in the emissions inventory with profile data based on the source characteristics l Gridding surrogate: A dataset developed from data at a finer resolution than the emissions, used to spatially allocate the emissions to the grid cells (e.g., population, housing, agricultural regions)

11. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 11 Definitions (4) l Plume rise: The rising of the exhaust from point sources due to the velocity and temperature of the exhaust gases l Elevated source: A point source in which emissions are higher than the first model layer because of plume rise l Plume-in-grid: A special treatment of elevated sources by which the plume rise is modeled with extra detail by the air quality model

12. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 12 Definitions (5) l Spatial allocation: Convert the source spatial extent to the grid cell resolution needed by the air quality model l Chemical speciation: Convert the inventory pollutant data to the chemical species needed by the air quality model l Temporal allocation: Convert the inventory temporal resolution to the hourly temporal resolution needed by the air quality model

13. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 13 Area Emissions Processing l Import data l Spatial allocation – Allocation of county emissions into grid cells using spatial surrogate l Chemical speciation l Temporal allocation l Approach also applied to “mobile” sources: road dust and non-road mobile sources

14. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 14 Point Emissions Processing l Import, chemical speciation, temporal, plus... l All emissions for a source in single grid cell l Use day-specific and hour-specific inventory data l Determine elevated sources and plume-in-grid (PinG) sources l Special processing and output for elevated and PinG sources – Create 3-d emissions file + optional PinG emissions files OR – Create special elevated (PinG optional) + 2-d emissions file – Meteorology based

15. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 15 Mobile Emissions Processing (1) l Import, chemical speciation, temporal, plus... l Possibly start with vehicle miles traveled (VMT) instead of emissions l Create emission factors based on meteorology – Emission factors model such as MOBILE5 – Gridded hourly or average meteorology – Emissions = Emission factor  VMT l Spatial allocation may include link sources

16. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 16 Mobile Emissions Processing (2) l Emission factors typically depend on emissions process (e.g., exhaust, evaporative, diurnal) l Temporal allocation and speciation may depend on emissions process l Approach only for on-road mobile sources

17. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 17 Biogenic Emissions Processing l Typically created by BEIS2 emissions model l About 120 landuse types l Landuse types have emission factors which are adjusted by gridded temperature and solar radiation l Winter and summer emission factors l If landuse is county total, then use gridding surrogate

18. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 18 Merging and Formatting l Combining steps taken for a given source category to create model-ready formatted files (e.g., combine import, gridding, speciation, temporal allocation steps) l Combine multiple source categories into a single data set (e.g., combine area, biogenics, mobile, and point) l Output correct units, species, time steps, grid projection, and file format for the air quality model of interest

19. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 19 Quality Assurance l Compare emissions totals from emissions processor with inventory totals – By state, county, SCC, combinations, other l Compare emissions totals at each stage of the processing l Ensure input file formats are correct l Ensure no significant errors or warnings in processing l Compare emissions among states and counties l Compare emission ratios to ambient measurement ratios

20. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 20 SMOKE Basics l Capabilities l Programs l Dataflows l Concepts l Shared details of programs l Assigns file l Environment variables for naming files and directories

21. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 21 Capabilites Data Import l Formats – EMS-95: area, mobile (fixed-column or not), point, and hour- specific point – IDA: area, mobile, and point – EPS2: (AFS/AMS): area, point, and period-specific point – BEIS and BEIS2: county and gridded landuse – Gridded I/O API data as area source l User-selected pollutants – 16-character pollutant name limit – Maximum numbers allowed depends on source category Area:19 Mobile:54 Point:15

22. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 22 Capabilites Spatial Allocation l Input coordinates: Lat-lon or UTM l Output projections: Lat-lon, Lambert, UTM l Any number and size of cells l Area: apply gridding surrogates or map grid cells for pre-gridded data l Biogenic: import gridded or county landuse l Mobile: apply gridding surrogates or map link sources to grid l Point: assign point location to grid cell

23. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 23 Capabilites Chemical Speciation l User-selected species (up to 120) l CB-IV and RADM mechanisms installed by default l Particulate splits l 16-character species name limit l SMOKE outputs all species in profile file that match inventory pollutants l Both mole-based and mass-based speciation matrices

24. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 24 Capabilites Temporal Allocation l Supports monthly, weekly, and diurnal profiles – Different diurnal permitted for each day of the week l Can use ozone-season or annual-average inventory data from IDA inventory l Point sources can use day- and hour-specific data l Biogenic based on gridded meteorology l Mobile emission factors can be based on gridded temperature (to be used with VMT) l Automatic accounting for holidays

25. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 25 Capabilities Growth and Control l SMOKE imports growth factors to create a growth matrix l Growth matrix is applied to the inventory l SMOKE imports control factors to create several control matrices l Control matrices are applied during the final merge or to the inventory l Multiplicative, additive, and reactivity controls

26. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 26 Capabilites Biogenic Source Processing l Released version supports BEIS2 science with 120 landuse types l SMOKE-BEIS3 is being released with SMOKE v1.4 l BELD3 data has 230 landuse types l New emission factors for all 230 landuse types l Modified light attenuation algorithm for calculating ISOP emissions l Supports CB-IV and RADM2 mechanisms l NO x and VOC

27. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 27 Capabilites Mobile Source Processing l Can import VMT, other activity data, or emissions l Can optionally import gridded emissions l Can drive MOBILE5b for large regions based on gridded temperature l Can use different speeds at different hours l Temperature used can be at ground, layer-1, or 1.5 meters l Can run VMT for CO, NO x, VOC, SO 2, NH 3, PM 10, and PM 2.5, and toxics l Can customize road types and vehicle types

28. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 28 Capabilities Point Source Processing l Day-specific and hour-specific data permitted by pollutant l Customizes source definition based on inventory type (EMS-95, IDA/NET, EPS) l Options for elevated sources: – UAM-style with separate emissions file; AQM computes plume rise – All sources potentially elevated - SMOKE computes plume rise – Major/Minor sources - SMOKE computes plume rise for major sources – PinG sources - SMOKE outputs special file to support PinG for CMAQ and MAQSIP – Output for UAM-style elevated emissions

29. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 29 Capabilities Quality Assurance l Smkreport program l SMKMerge program optionally outputs state and county total emissions – Mass speciation matrix is used – Can specify units for output l Can compare totals from different merges: – Inventory-grid – Hourly-grid – Inventory-species-grid l Built in file format and file quality checks l PAVE comparisons

30. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 30 SMOKE Programs SMKINVEN SPCMAT GRDMAT TEMPORAL SMKMERGE CNTLMAT GRWINVEN PREMOBL M EMISFAC M LAYPOINT P RAWBIO B TMPBIO B B M P Biogenic only Mobile only Point only ELEVPOINT P MRGGRID SMKREPORT SMK2EMIS MBSETUP M

31. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 31 SMOKE Dataflows (1) Biogenic Processing Mobile Processing Area Processing Point Processing Land use Data Meteorology Data Emissions Inventories Hourly Emissions Matrices Hourly Layer Fractions Merge Processing Model-Ready Emissions Emissions Reports

32. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 32 SMOKE Dataflows (2) SMKINVEN Emissions Inventories Meteorology Data Profiles and X-refs SMOKE Inventory AQM Specs Control Data CNTLMAT GRDMAT SPCMAT TEMPORAL Hourly Emissions Speciation Matrix Gridding Matrix Control Matrix

33. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 33 Other Processing Paradigms Load Inventory Growth and Controls Speciation Temporal Allocation Gridding Model Ready Emissions Load Inventory Growth and Controls Speciation Temporal Allocation Gridding Model Ready Emissions Merge SMOKE Processing Paradigm

34. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 34 SMOKE for Additional Control Strategies Growth and Controls Model Ready Emissions Merge Gridding Model Ready Emissions Merge SMOKE for Additional Grids (for non-mobile sources that do not use VMT) Gridding Model Ready Emissions Merge SMOKE for Additional Grids (for mobile sources that do use VMT) Emission Factors Temporal Allocation

35. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 35 Shared Details of SMOKE Programs (1) l Sources must be uniquely defined based on SMOKE source characteristics l Sources are sorted in particular order l Inventoryvectors Adjustment factorsmatrices vectors x matrices model-ready emissions l I/O API – Library: SMOKE uses the I/O API library to create intermediate and output files. The files are NetCDF files, which means that they are binary, direct access, and platform-independent. – Tools: The I/O API tools can be used to manipulate I/O API files (e.g., extract a “window” from a gridded dataset).

36. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 36 Shared Details of SMOKE Programs (2) l All programs output log files l Most programs process multiple source categories l All programs process only one source category at a time (Smkmerge and Mrggrid are exceptions) l Environment variables are used to name files and directories l “Logical file names” – Are environment variables – e.g., program uses OUTFILE for its output file setenv OUTFILE myoutputfile.ncf

37. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 37 Shared Details of SMOKE Programs (3) l Environment variables also control programs – SMK_SOURCE: Set to A, B, M, or P to control source category – LOGFILE: Set to a file name to record the standard output of informational, error, and warning messages – PROMPTFLAG: Y/N to control interactive or batch mode – SMK_MAXERROR: Maximum number of errors – SMK_MAXWARNING: Maximum number of warnings

38. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 38 Assigns File l Purpose: To set directory names and file names for a case l For running SMOKE from the prompt or from scripts, and navigating directories l Three types of environment variables: – Part of file names or directories – Correspond to a particular directory – Correspond to a particular file To use: > cd $SMKROOT/assigns > source ASSIGNS.train.cb-iv.va12

39. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 39 Environment Variables Used in File and Directory Names Name of the inventory, including versionINVEN Name of the scenario/strategy currently being modeledESCEN Name of the meteorology scenario being usedMSCEN Name of the gridGRID Name of chemical speciation typeSPC Year of the scenario being simulatedYEAR Number of days being simulated per program runNDAYS Starting date of the emissions files and simulationESDATE DescriptionE.V. Name Name of the biogenics scenario being usedBSCEN Name for the inventory output filesINVOP Name of the inventory input directory (no version)INVID Starting date of the meteorology filesMSDATE Number of days in the meteorology fileMDAYS

40. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 40 Environment Variables for Controlling Episode Start time in output time zone (HHMMSS)G_STTIME Time step (HHMMSS) - only 10000 will workG_TSTEP DescriptionE.V. Name Duration (HHMMSS)G_RUNLEN Julian start date (YYYYDDD)G_STDATE Output time zone number (0-23)OUTZONE Emission factor yearEF_YEAR

41. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 41 Input Directories DescriptionE.V. NameExample/ Default Value SMOKE system main directorySMKROOT$EDSS_ROOT/subsys/smokev1 SMOKE system main directorySMKDAT$EDSS_ROOT/data/smoke Inventory input directoryINVDIR$SMKDAT/inventory/$INVID General data directory (e.g., profiles)GE_DAT$SMKDAT/ge_dat Meteorology data directoryMETDAT$EDSS_ROOT/data/met/$MSCEN * Area inventory input dataARDAT$INVDIR/area Biogenic input dataBGDAT$INVDIR/biog Mobile inventory input dataMBDAT$INVDIR/mobile Point inventory input dataPTDAT$INVDIR/point * Meteorology data often varies at the preference of the user. This is controlled by user’s setting their Assigns file

42. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 42 Output Directories DescriptionE.V. NameExample/ Default Value Scenario-specific, time dep output dirSCENARIO$SMKDAT/run_$ESCEN/$ESDATE Scenario-specific output dirSTATIC$SMKDAT/run_$ESCEN/static Episode-specific, time dep output dirBASSCN$SMKDAT/run_$INVEN/$ESDATE Episode-specific output dirBASDIR$SMKDAT/run_$INVEN/static Final output directoryOUTPUT$SCENARIO/output/$SPC Reports base directoryREPORTS$SMKDAT/reports Scenario-specific, time dep reports dirREPSCEN$REPORTS/$ESCEN/$ESDATE Scenario-specific, reports dirREPSTAT$REPORTS/$ESCEN/static Inventory, time dependent reports dirREPINVEN$REPORTS/$INVOP/$ESDATE Inventory reports dirREPINVST$REPORTS/$INVOP/static Inventory output directoryINVOPD$SMKDAT/inventory/$INVOP

43. __________________________________________________________________________SMOKE Basics North Carolina Supercomputing Center__________________________Environmental Programs 43 Benefits of SMOKE l Processing is much faster than other systems l Parallel processing paradigm – Fast multi-grid processing – Fast control strategy processing – Fast multi-chemical mechanism processing – Fast mutiple formats output (for different AQMs) l Minimal redundant data storage for decreased file size l Machine-independent binary file formats (IO/API NetCDF) l No third party software l No grid or inventory size limits l Processing for ozone and particulate modeling l BEIS-2 with gridded or county land use data l Output for CMAQ, MAQSIP, UAM-V, CAMx, modified UAM- AERO, REMSAD