In the framework of the Forum for Air Quality Modelling in Europe (FAIRMODE), a modelling intercomparison exercise for computing NO2 long-term average concentrations in urban districts with a very high spatial resolution was carried out. This exercise was undertaken for a district of Antwerp (Belgium). Air quality data includes data recorded in air quality monitoring stations and 73 passive samplers deployed during one-month period in 2016. The modelling domain was 800 × 800 m². Nine modelling teams participated in this exercise providing results from fifteen different modelling applications based on different kinds of model approaches (CFD – Computational Fluid Dynamics-, Lagrangian, Gaussian, and Artificial Intelligence). Some approaches consisted of models running the complete one-month period on an hourly basis, but most others used a scenario approach, which relies on simulations of scenarios representative of wind conditions combined with post-processing to retrieve a one-month average of NO2 concentrations. The objective of this study is to evaluate what type of modelling system is better suited to get a good estimate of long-term averages in complex urban districts. This is very important for air quality assessment under the European ambient air quality directives. The time evolution of NO2 hourly concentrations during a day of relative high pollution was rather well estimated by all models. Relative to high resolution spatial distribution of one-month NO2 averaged concentrations, Gaussian models were not able to give detailed information, unless they include building data and street-canyon parameterizations. The models that account for complex urban geometries (i.e. CFD, Lagrangian, and AI models) appear to provide better estimates of the spatial distribution of one-month NO2 averages concentrations in the urban canopy. Approaches based on steady CFD-RANS (Reynolds Averaged Navier Stokes) model simulations of meteorological scenarios seem to provide good results with similar quality to those obtained with an unsteady one-month period CFD-RANS simulations.

We present an open-source code, Xyst, intended for the simulation of complex-geometry 3D compressible flows. The software implementation facilitates the effective use of the largest distributed-memory machines, combining data-, and task-parallelism on top of the Charm++ runtime system. Charm++’s execution model is asynchronous by default, allowing arbitrary overlap of computation and communication. Built-in automatic load balancing enables redistribution of arbitrarily heterogeneous computational load based on real-time CPU load measurement at negligible cost. The runtime system also features automatic checkpointing, fault tolerance, resilience against hardware failure, and supports power- and energy-aware computation. We verify and validate the numerical method and demonstrate the benefits of automatic load balancing for irregular workloads.