New KPP files for NO2 + OH

These files contain the modelling data used for Winiberg et al., 2024. 

Information about the setting up, and running of GEOS-Chem HP can be found here: https://gchp.readthedocs.io/en/stable/

A list of the required software libraries is provided here: https://gchp.readthedocs.io/en/stable/getting-started/requirements.html

For this work the GEOS-Chem model was run with the following libraries. 

GCC 11.2.0

ESMF 8.2.0

netCDF-C++ 4.3.1

netCDF-Fortran 4.5.3

netCDF-C 4.8.1

HDF5 1.12.1

CMake 3.22.1

flex 2.6.4

Bison 3.7.6

The simulations described here were run on the University of York’s Viking HPC platform. 

It consists of AMD EPYC3 chips, with 512GB RAM per node and 100Gb/s Omnipath interconnect. Simulations were run typically with 288 cores. 

The base model is GEOS-Chem HP v 14.2.2 (https://doi.org/10.5281/zenodo.8411829)

To update the model with the new NO2+OH(+H2O)-->HNO3 rate expression requires the compilation with the updated files in new_kpp.tar.gz. And also please replace the original fullchem_mod.F90 under the code folder src/GCHP_GridComp/GEOSChem_GridComp/geos-chem/GeosCore with fullchem_mod_frank.F90.

The initial conditions file for the unstretched grid simulations is given in Frank.tar.gz

The initial conditions file for the stretched grid is given in Frank_stretched.tar.gz

The python code for plotting Figures 2, 3, SI9.1,9.2 is contained within plot_zonal_and_map.py

The python code for plotting Figures SI11.1, SI11.2 is contained with plot_gchp_afternoon_2.py

The model output is available from 

https://dx.doi.org/10.5285/3889a9e536c04057a98a47db21602b62

Files SI_TablesSI2.1.csv and SI_TablesSI2.2.csv contain the data given in the Supplementary Information  Tables 2.1 and 2.2 and form the basis of Figure 1 and in the Supplementary Information Figures 4.x and 5.