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We describe a new generation of the high-performance GEOS-Chem (GCHP) global model of atmospheric composition developed as part of the GEOS-Chem version 13 series. GEOS-Chem is an open-source grid-independent model that can be used online within a meteorological simulation or offline using archived meteorological data. GCHP is an offline implementation of GEOS-Chem driven by NASA Goddard Earth Observing System (GEOS) meteorological data for massively parallel simulations. Version 13 offers major advances in GCHP for ease of use, computational performance, versatility, resolution, and accuracy. Specific improvements include (i) stretched-grid capability for higher resolution in user-selected regions, (ii) more accurate transport with new native cubed-sphere GEOS meteorological archives including air mass fluxes at hourly temporal resolution with spatial resolution up to C720 (∼ 12 km), (iii) easier build with a build system generator (CMake) and a package manager (Spack), (iv) software containers to enable immediate model download and configuration on local computing clusters, (v) better parallelization to enable simulation on thousands of cores, and (vi) multi-node cloud capability. The C720 data are now part of the operational GEOS forward processing (GEOS-FP) output stream, and a C180 (∼ 50 km) consistent archive for 1998–present is now being generated as part of a new GEOS-IT data stream. Both of these data streams are continuously being archived by the GEOS-Chem Support Team for access by GCHP users. Directly using horizontal air mass fluxes rather than inferring from wind data significantly reduces global mean error in calculated surface pressure and vertical advection. A technical performance demonstration at C720 illustrates an attribute of high resolution with population-weighted tropospheric NO 2 columns nearly twice those at a common resolution of 2 ∘ × 2.5 ∘. [ABSTRACT FROM AUTHOR]

Modeling atmospheric chemistry at fine resolution globally is computationally expensive; the capability to focus on specific geographic regions using a multiscale grid is desirable. Here, we develop, validate, and demonstrate stretched grids in the GEOS-Chem atmospheric chemistry model in its high-performance implementation (GCHP). These multiscale grids are specified at runtime by four parameters that offer users nimble control of the region that is refined and the resolution of the refinement. We validate the stretched-grid simulation versus global cubed-sphere simulations. We demonstrate the operation and flexibility of stretched-grid simulations with two case studies that compare simulated tropospheric NO 2 column densities from stretched-grid and cubed-sphere simulations to retrieved column densities from the TROPOspheric Monitoring Instrument (TROPOMI). The first case study uses a stretched grid with a broad refinement covering the contiguous US to produce simulated columns that perform similarly to a C180 (∼ 50 km) cubed-sphere simulation at less than one-ninth the computational expense. The second case study experiments with a large stretch factor for a global stretched-grid simulation with a highly localized refinement with ∼ 10 km resolution for California. We find that the refinement improves spatial agreement with TROPOMI columns compared to a C90 cubed-sphere simulation of comparable computational demands. Overall, we find that stretched grids in GEOS-Chem are a practical tool for fine-resolution regional- or continental-scale simulations of atmospheric chemistry. Stretched grids are available in GEOS-Chem version 13.0.0. [ABSTRACT FROM AUTHOR]

Modeling atmospheric chemistry at fine resolution globally is computationally expensive; the capability to focus on specific geographic regions using a multiscale grid is desirable. Here, we develop, validate, and demonstrate stretched-grids in the GEOS-Chem atmospheric chemistry model in its high performance implementation (GCHP). These multiscale grids are specified at runtime by four parameters that offer users nimble control of the region that is refined and the resolution of the refinement. We validate the stretched-grid simulation versus global cubed-sphere simulations. We demonstrate the operation and flexibility of stretched-grid simulations with two case studies that compare simulated tropospheric NO2 column densities from stretched-grid and cubed-sphere simulations to retrieved column densities from the TROPOspheric Monitoring Instrument (TROPOMI). The first case study uses a stretched-grid with a broad refinement covering the contiguous US to produce simulated columns that perform similarly to a C180 (~50 km) cubed-sphere simulation at less than one-ninth the computational expense. The second case study experiments with a large stretch-factor for a global stretched-grid simulation with a highly localized refinement with ~10 km resolution for California. We find that the refinement improves spatial agreement with TROPOMI columns compared to a C90 cubed-sphere simulation of comparable computational demands, despite conducting the simulation at a finer resolution than parent meteorological fields. Overall we find that stretched-grids in GEOS-Chem are a practical tool for fine resolution regional- or continental-scale simulations of atmospheric chemistry. Stretched-grids are available in GEOS-Chem version 13.0.0. [ABSTRACT FROM AUTHOR]

Global modeling of atmospheric chemistry is a grand computational challenge because of the need to simulate large coupled systems of ~ 100-1000 chemical species interacting with transport on all scales. Offline chemical transport models (CTMs), where the chemical continuity equations are solved using meteorological data as input, have usability advantages and are important vehicles for developing atmospheric chemistry knowledge that can then be transferred to Earth system models. However, they have generally not been designed to take advantage of massively parallel computing architectures. Here, we develop such a highperformance capability for GEOS-Chem (GCHP), a CTM driven by meteorological data from the NASA Goddard Earth Observation System (GEOS) and used by hundreds of research groups worldwide. GCHP is a grid-independent implementation of GEOS-Chem using the Earth System Modeling Framework (ESMF) that permits the same standard model to operate in a distributed-memory framework for massive parallelization. GCHP also allows GEOS-Chem to take advantage of the native GEOS cubed-sphere grid for greater accuracy and computational efficiency in simulating transport. GCHP enables GEOS-Chem simulations to be conducted with high computational scalability up to at least 500 cores, so that global simulations of stratosphere-troposphere oxidant-aerosol chemistry at C180 spatial resolution (~ 0:5° x 0:625°) or finer become routinely feasible. [ABSTRACT FROM AUTHOR]

Global modeling of atmospheric composition is a grand computational challenge because of the need to simulate large coupled systems of chemical species interacting with transport on all scales. Off-line chemical transport models (CTMs), where the chemical continuity equations are solved using meteorological data as input, have the advantages of simplicity and reproducibility, and are important vehicles for developing knowledge that can then be transferred to Earth system models. However, they have generally not been designed to take advantage of massively parallel computing architectures. Here we develop such a high-performance capability (GCHP) for GEOS-Chem, a CTM driven by GEOS meteorological data from the NASA Goddard Earth Observation System (GEOS) and used by hundreds of research groups worldwide. GCHP is a grid-independent implementation of GEOS-Chem using the Earth System Modeling Framework (ESMF) that permits the same standard model to be run in a distributed-memory framework, scalable from six cores on a single node up to hundreds of cores distributed across a network. GCHP also allows GEOS-Chem to take advantage of the native GEOS cubed-sphere grid for greater accuracy and computational efficiency in simulating transport. GCHP enables GEOS-Chem simulations to be conducted with high computational scalability up to at least 500 cores, so that global simulations of stratosphere-troposphere oxidant-aerosol chemistry at C180 spatial resolution (~0.5° × 0.625°) or finer become routinely feasible. [ABSTRACT FROM AUTHOR]