Pipeline for Zheng et al. "Bridging Particle-Resolved and Global Scales: Online Emulation of Aerosol Mixing State in E3SMv3 and Its Impacts on CCN and Cloud Droplet Number"

Le résumé fourni par la source

Model code and trained emulator for the online aerosol mixing-state emulation in E3SMv3 (EAMv3), accompanying Zheng et al., "Bridging Particle-Resolved and Global Scales: Online Emulation of Aerosol Mixing State in E3SMv3 and Its Impacts on CCN and Cloud Droplet Number" (submitted to JGR-Atmospheres). An XGBoost emulator, trained on particle-resolved PartMC-MOSAIC simulations, predicts the aerosol mixing-state index online at every physics time step and model level inside EAM's droplet activation routine. The predicted index is mapped to a two-subpopulation representation of the accumulation mode, with distinct hygroscopicities, for the activation and CCN calculations. This archive showcases the BC mixing-state (XB) experiments. Contents Zheng_etal_Aerosol_Mixing_State_Emulation_E3SMv3_pipeline_v1.0/├── run_v3_LR_Perl_F2010_Ngd_Aerosol_Emulation_XB_FACTMIX_4yr.sh│ case script: builds and runs the experiment├── intel.cmake Intel macros with embedded-Python flags├── README.md workflow, environment, portability, license├── LICENSE E3SM 3-Clause BSD├── src.eam/ modified EAM sources│ ├── ndrop_XB-ACT_diagnostic.F90 diagnostic run, no feedback│ ├── ndrop_XB-ACT-Nd_interactive.F90 interactive run, updates droplet number│ ├── ae_chi_ml_wrapper.F90 Fortran interface to the C bridge│ ├── chi_ml_bridge.c C bridge to the embedded interpreter│ ├── ae_chi_xgb_ml_pred_XB.pyx Cython module wrapping the emulator│ └── ae_chi_xgb_ml_setup.py Cython build script├── src.drv/│ └── atm_comp_mct.F90 driver, one-time emulator initialization└── XGBoost_Model/ └── chi_b.model trained XGBoost emulator The run script is self-contained. It builds the Cython emulator module, creates the case, installs the source modifications and the compiler macros, and builds the 4-year nudged F2010 simulation (2015-2018) on NERSC Perlmutter. See README.md for the build workflow, the Python environment, and the portability notes.

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