This repository holds python code to help facilitate running and processing CMAQ simulations.

Instructions for running two scenarios (a base case and a with renewables scenario) for the DEC's 12OTC2 domain (12 km spatial resolution) and 4OTC2 domain (4 km spatial resolution) are included in this README. NOTE: I'm not sure if this package allows you to run multiple instances of CMAQModel simultaneously.

Run a new simulation on the 12-km domain

SMOKE

If you want to run a new simulation, start by preparing your data/dirpaths_{self.appl}.yml with directory and file paths. Then, edit the examples/ex_run_onetime.py script. To make it easy on yourself, I suggest opening your NEI_HOME directory in a separate VSCode window, so you can quickly navigate around the intermed, reports, and smoke_out directories.

1. Prepare the {ertac_case}__fs_ff10_future.csv and the {ertac_case}_fs_ff10_hourly_future.csv. Note that you might have to delete comments associated with Tri-Center Naniwa Energy.
2. Change appl. The available options are commented out in the example script.
3. Change ertac_case. The only options that I have developed thus far are CONUS2016_Base (the base case) and CONUS2016_S0 (the with renewables case).
4. Run ex_ptertac_onetime.py. This step should take about 3 hours to run and creates the grid-specific stack_groups_ptertac file.

Then, edit the examples/ex_ptertac_daily.py script

1. Change start_datetime.
2. Change end_datetime.
3. Change appl
4. Change ertac_case
5. Run ex_ptertac_daily.py. This step should take about 45 minutes to run and creates a grid-specific inln_mole_ptertac for each day in the month. NEI designed it's scripts to easily process the full year, so it's easiest to process data in monthly incriments.
6. If this is not the base case, I manually rename the smoke_out directory to append the scenario (e.g., ptertac_s0). Yes, I know, there must be a better way of doing this...

To visualize the point source emissions, you must transfer these files to the CMAQ grid by running runsmoke.run_inlineto2d. Note that you must run this fucntion separately for each day that you would like processed.

CCTM

Finally, edit examples/ex_run_cctm.py

1. If not rerunning MCIP, specify the location of your MCIP files using the LOC_MCIP variable in data/dirpaths_{self.appl}.yml
2. If not rerunning MCIP, set new_mcip=False in your CMAQModel instance
3. Specify the location of your initial and boundary conditions using the LOC_IC and LOC_BC variables in data/dirpaths_{self.appl}.yml
4. Specify the location of your ptertac in-line emissiions files using the LOC_ERTAC variable in data/dirpaths_{self.appl}.yml
5. Change start_datetime.
6. Change end_datetime.
7. Change appl.
8. Run examples/ex_run_cctm.py inside a tmux window. This domain takes about 1h 45m per day to run on the 48 proc node on Magma.

Combine

In order to visualize the data CCTM data properly, you need to postprocess the data using the CMAQ combine utility program, which you can run by editing examples/ex_run_scombine.py.

1. Change start_datetime.
2. Change end_datetime.
3. Change appl.
4. Run examples/ex_run_combine.py. No need for a tmux window, and this should take several minutes per day of simulaiton time with the default calcualtions.

Run a new simulation on the 4-km domian

SMOKE

If you want to run the 4-km domain after running a simulation on the 12-km domain, many of the steps remain the same. Start by preparing your data/dirpaths_{self.appl}.yml with directory and file paths. Then, edit the examples/ex_ptertac_onetime.py script.

1. Change appl. The available options are commented out in the example script.
2. Change ertac_case. The only options that I have developed thus far are CONUS2016_Base (the base case) and CONUS2016_S0 (the with renewables case).
3. Run ex_ptertac_onetime.py. This step should take about 2 hours to run, and creates the grid-specific stack_groups_ptertac* file. No need for a tmux window.

Next, edit the examples/ex_run_daily.py script.

1. Change appl. The available options are commented out in the example script.
2. Change ertac_case
3. Run ex_run_daily.py. This step should take about an hour to run and creates a grid-specific inln_mole_ptertac for each day in the month. No need for a tmux window.
4. If this is not the base case, I manually rename the smoke_out directory to append the scenario (e.g., ptertac_s0).

MCIP

If you need to run MCIP, edit the examples/ex_run_mcip.py script

1. Change start_datetime.
2. Change end_datetime.
3. Change appl. The available options are commented out in the example script.
4. Make sure that the start and end dates are correct.
5. Run examples/ex_run_mcip.py. Each day takes just over a minute to run on Magma.

ICON

If you need to run ICON, which you probably don't, edit the examples/ex_run_icon.py script.

1. Change start_datetime.
2. Change end_datetime.
3. Change appl. The available options are commented out in the example script.
4. Make sure that the start and end dates are correct.
5. Check the coarse_grid_appl.
6. Run examples/ex_run_icon.py.

NOTE: I'm just using the simulations transferred to us from NYDEC as boundary conditions (CGRID files), so I just simply change the LOC_IC variable in data/dirpaths_{self.appl}.yml rather than running ICON.

BCON

If you need to run BCON, which you probably do, edit the examples/ex_run_bcon.py script

1. Change start_datetime.
2. Change end_datetime.
3. Change appl. The available options are commented out in the example script.
4. Make sure that the start and end dates are correct.
5. Check the coarse_grid_appl.
6. Run examples/ex_run_bcon.py inside a tmux window. BCON takes about a minute per day to run on Magma.

CCTM

Finally, edit examples/ex_run_cctm.py

1. If not running MCIP, specify the location of your MCIP files using the LOC_MCIP variable in data/dirpaths_{self.appl}.yml and set new_mcip=False in your CMAQModel instance.
2. If not running BCON, specify the location of you BCON files using the LOC_BC variable in data/dirpaths_{self.appl}.yml and set new_bcon=False in your CMAQModel instance.
3. Specify the name of your ptertac in-line emissiions files in the LOC_ERTAC variable in data/dirpaths_{self.appl}.yml.
4. Change start_datetime.
5. Change end_datetime.
6. Change appl. The available options are commented out in the example script.
7. Run examples/ex_run_cctm.py inside a tmux window. This domain takes about 55 min per day to run on the 48 proc node on Magma.

Combine

In order to visualize the data CCTM data properly, you need to postprocess the data using the CMAQ combine utility program, which you can run by editing examples/ex_run_scombine.py.

1. Change start_datetime.
2. Change end_datetime.
3. Change appl.
4. Run examples/ex_run_combine.py. No need for a tmux window, and this should take several minutes per day of simulaiton time with the default calcualtions.