Preprints
https://doi.org/10.5194/egusphere-2026-2389
https://doi.org/10.5194/egusphere-2026-2389
30 Jul 2026
 | 30 Jul 2026
Status: this preprint is open for discussion and under review for Geoscientific Model Development (GMD).

GPU-accelerated atmospheric chemical kinetics using single precision in the ECHAM/MESSy (EMAC) model v2.55 with MEDINA v2.0

Kyriacos Sophocleous, Timo Kirfel, Domenico Taraborrelli, and Theodoros Christoudias

Abstract. Atmospheric chemical kinetics puts a major computational burden on Earth system models, yet its embarrassingly parallel nature of the problem structure makes it well suited to GPU acceleration. Here we present a single-precision floating point (FP32) GPU implementation of the MECCA chemical kinetics submodule in the ECHAM/MESSy Atmospheric Chemistry (EMAC) model. It is enabled by the MEDINA code-to-code compiler v2.0 and compatible with the Rosenbrock-family numerical solvers generated by the Kinetic Pre-Processor (KPP). The approach exploits FP32 arithmetic inside the GPU kernels while preserving double precision in the host EMAC workflow via explicit type conversion on the GPU.

We evaluate the numerical fidelity and achieved performance in both an idealised box-model configuration and in full EMAC production simulations on the JUWELS Booster system. Across tested mechanisms and resolutions, FP32 reproduces the double-precision CPU reference to within <0.004 % in total-species-mass differences, with discrepancies confined to chemically depleted tracers near machine representation limits. In production-scale runs, FP32 further reduces the average chemical-kinetics execution time by about 30 % relative to the FP64 GPU implementation and lowers the memory footprint of FP-intensive data structures. Chemistry calculations in FP32 enhance scalability for high-resolution and chemically complex simulations.

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Kyriacos Sophocleous, Timo Kirfel, Domenico Taraborrelli, and Theodoros Christoudias

Status: open (until 24 Sep 2026)

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Kyriacos Sophocleous, Timo Kirfel, Domenico Taraborrelli, and Theodoros Christoudias
Kyriacos Sophocleous, Timo Kirfel, Domenico Taraborrelli, and Theodoros Christoudias
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Short summary
We address a major bottleneck in Earth system models, the high computational cost of simulating atmospheric chemical reactions, using graphics processing units. The MEDINA code-to-code compiler supports switching from double-precision to single-precision arithmetic, thus reducing average processing times by 30 % and cutting memory usage. Tests showed that this more efficient approach maintains high accuracy, with results matching traditional methods within 0.004 %.
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