The European Centre for Medium-Range Weather Forecasts' (ECMWF's) next-generation reanalysis ERA5 provides many improvements, but it also confronts the community with a “big data” challenge. Data storage requirements for ERA5 increase by a factor of ∼80 compared with the ERA-Interim reanalysis, introduced a decade ago. Considering the significant increase in resources required for working with the new ERA5 data set, it is important to assess its impact on Lagrangian transport simulations. To quantify the differences between transport simulations using ERA5 and ERA-Interim data, we analyzed comprehensive global sets of 10-day forward trajectories for the free troposphere and the stratosphere for the year 2017. The new ERA5 data have a considerable impact on the simulations. Spatial transport deviations between ERA5 and ERA-Interim trajectories are up to an order of magnitude larger than those caused by parameterized diffusion and subgrid-scale wind fluctuations after 1 day and still up to a factor of 2–3 larger after 10 days. Depending on the height range, the spatial differences between the trajectories map into deviations as large as 3 K in temperature, 30 % in specific humidity, 1.8 % in potential temperature, and 50 % in potential vorticity after 1 day. Part of the differences between ERA5 and ERA-Interim is attributed to the better spatial and temporal resolution of the ERA5 reanalysis, which allows for a better representation of convective updrafts, gravity waves, tropical cyclones, and other meso- to synoptic-scale features of the atmosphere. Another important finding is that ERA5 trajectories exhibit significantly improved conservation of potential temperature in the stratosphere, pointing to an improved consistency of ECMWF's forecast model and observations that leads to smaller data assimilation increments. We conducted a number of downsampling experiments with the ERA5 data, in which we reduced the numbers of meteorological time steps, vertical levels, and horizontal grid points. Significant differences remain present in the transport simulations, if we downsample the ERA5 data to a resolution similar to ERA-Interim. This points to substantial changes of the forecast model, observations, and assimilation system of ERA5 in addition to improved resolution. A comparison of two Lagrangian trajectory models allowed us to assess the readiness of the codes and workflows to handle the comprehensive ERA5 data and to demonstrate the consistency of the simulation results. Our results will help to guide future Lagrangian transport studies attempting to navigate the increased computational complexity and leverage the considerable benefits and improvements of ECMWF's new ERA5 data set.

Lagrangian models are fundamental tools to study atmospheric transport processes and for practical applications such as dispersion modeling for anthropogenic and natural emission sources. However, conducting large-scale Lagrangian transport simulations with millions of air parcels or more can become rather numerically costly. In this study, we assessed the potential of exploiting graphics processing units (GPUs) to accelerate Lagrangian transport simulations. We ported the Massive-Parallel Trajectory Calculations (MPTRAC) model to GPUs using the open accelerator (OpenACC) programming model. The trajectory calculations conducted within the MPTRAC model were fully ported to GPUs, i.e., except for feeding in the meteorological input data and for extracting the particle output data, the code operates entirely on the GPU devices without frequent data transfers between CPU and GPU memory. Model verification, performance analyses, and scaling tests of the Message Passing Interface (MPI) – Open Multi-Processing (OpenMP) – OpenACC hybrid parallelization of MPTRAC were conducted on the Jülich Wizard for European Leadership Science (JUWELS) Booster supercomputer operated by the Jülich Supercomputing Centre, Germany. The JUWELS Booster comprises 3744 NVIDIA A100 Tensor Core GPUs, providing a peak performance of 71.0 PFlop s⁻¹. As of June 2021, it is the most powerful supercomputer in Europe and listed among the most energy-efficient systems internationally. For large-scale simulations comprising 10⁸ particles driven by the European Centre for Medium-Range Weather Forecasts' fifth-generation reanalysis (ERA5), the performance evaluation showed a maximum speed-up of a factor of 16 due to the utilization of GPUs compared to CPU-only runs on the JUWELS Booster. In the large-scale GPU run, about 67 % of the runtime is spent on the physics calculations, conducted on the GPUs. Another 15 % of the runtime is required for file I/O, mostly to read the large ERA5 data set from disk. Meteorological data preprocessing on the CPUs also requires about 15 % of the runtime. Although this study identified potential for further improvements of the GPU code, we consider the MPTRAC model ready for production runs on the JUWELS Booster in its present form. The GPU code provides a much faster time to solution than the CPU code, which is particularly relevant for near-real-time applications of a Lagrangian transport model.

Tropical volcanic eruptions have been widely studied for their significant contribution to stratospheric aerosol loading and global climate impacts, but the impact of high-latitude volcanic eruptions on the stratospheric aerosol layer is not clear and the pathway of transporting aerosol from high latitudes to the tropical stratosphere is not well understood. In this work, we focus on the high-latitude volcano Sarychev (48.1° N, 153.2° E), which erupted in June 2009, and the influence of the Asian summer monsoon (ASM) on the equatorward dispersion of the volcanic plume. First, the sulfur dioxide (SO₂) emission time series and plume height of the Sarychev eruption are estimated with SO₂ observations of the Atmospheric Infrared Sounder (AIRS) and a backward trajectory approach using the Lagrangian particle dispersion model Massive–Parallel Trajectory Calculations (MPTRAC). Then, the transport and dispersion of the plume are simulated using the derived SO₂ emission time series. The transport simulations are compared with SO₂ observations from AIRS and validated with aerosol observations from the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS). The MPTRAC simulations show that about 4 % of the sulfur emissions were transported to the tropical stratosphere within 50 days after the beginning of the eruption, and the plume dispersed towards the tropical tropopause layer (TTL) through isentropic transport above the subtropical jet. The MPTRAC simulations and MIPAS aerosol data both show that between the potential temperature levels of 360 and 400 K, the equatorward transport was primarily driven by anticyclonic Rossby wave breaking enhanced by the ASM in boreal summer. The volcanic plume was entrained along the anticyclone flows and reached the TTL as it was transported southwestwards into the deep tropics downstream of the anticyclone. Further, the ASM anticyclone influenced the pathway of aerosols by isolating an aerosol hole inside of the ASM, which was surrounded by aerosol-rich air outside. This transport barrier was best indicated using the potential vorticity gradient approach. Long-term MIPAS aerosol detections show that after entering the TTL, aerosol from the Sarychev eruption remained in the tropical stratosphere for about 10 months and ascended slowly. The ascent speed agreed well with the ascent speed of the water vapor tape recorder. Furthermore, a hypothetical MPTRAC simulation for a wintertime eruption was carried out. It is shown that under winter atmospheric circulations, the equatorward transport of the plume would be suppressed by the strong subtropical jet and weak wave breaking events. In this hypothetical scenario, a high-latitude volcanic eruption would not be able to contribute to the tropical stratospheric aerosol layer.

In this study we compared temperatures and horizontal winds of meteorological analyses in the Antarctic lower stratosphere, a region of the atmosphere that is of major interest regarding chemistry and dynamics of the polar vortex. The study covers the European Centre for Medium-Range Weather Forecasts (ECMWF) operational analysis, the ERA-Interim reanalysis, the Modern-Era Retrospective analysis for Research and Applications version 1 and 2 (MERRA and MERRA-2), and the National Centers for Environmental Prediction and National Center for Atmospheric Research (NCEP/NCAR) reanalysis. The comparison was performed with respect to long-duration observations from 19 superpressure balloon flights during the Concordiasi field campaign in September 2010 to January 2011. Most of the balloon measurements were conducted at altitudes of 17–18.5 km and latitudes of 60–85° S. We found that large-scale state temperatures of the analyses have a mean precision of 0.5–1.4 K and a warm bias of 0.4–2.1 K with respect to the balloon data. Zonal and meridional winds have a mean precision of 0.9–2.3 m s⁻¹ and a bias below ±0.5 m s⁻¹. Standard deviations related to small-scale fluctuations due to gravity waves are reproduced at levels of 15–60 % for temperature and 30–60 % for the horizontal winds. Considering the fact that the balloon observations have been assimilated into all analyses, except for NCEP/NCAR, notable differences found here indicate that other observations, the forecast models, and the data assimilation procedures have a significant impact on the analyses as well. We also used the balloon observations to evaluate trajectory calculations with our new Lagrangian transport model Massive-Parallel Trajectory Calculations (MPTRAC), where vertical motions of simulated trajectories were nudged to pressure measurements of the balloons. We found relative horizontal transport deviations of 4–12 % and error growth rates of 60–170 km day⁻¹ for 15-day trajectories. Dispersion simulations revealed some difficulties with the representation of subgrid-scale wind fluctuations in MPTRAC, as the spread of air parcels simulated with different analyses was not consistent. However, although case studies suggest that the accuracy of trajectory calculations is influenced by meteorological complexity, diffusion generally does not contribute significantly to transport deviations in our analysis. Overall, evaluation results are satisfactory and compare well to earlier studies using superpressure balloon observations.

Volcanic sulfate aerosol is an important source of sulfur for Antarctica, where other local sources of sulfur are rare. Midlatitude and high-latitude volcanic eruptions can directly influence the aerosol budget of the polar stratosphere. However, tropical eruptions can also enhance polar aerosol load following long-range transport. In the present work, we analyze the volcanic plume of a tropical eruption, Mount Merapi in 2010, and investigate the transport pathway of the volcanic aerosol from the tropical tropopause layer (TTL) to the lower stratosphere over Antarctica. We use the Lagrangian particle dispersion model Massive-Parallel Trajectory Calculations (MPTRAC) and Atmospheric Infrared Sounder (AIRS) SO₂ measurements to reconstruct the altitude-resolved SO₂ injection time series during the explosive eruption period and simulate the transport of the volcanic plume using the MPTRAC model. AIRS SO₂ and aerosol measurements, the aerosol cloud index values provided by Michelson Interferometer for Passive Atmospheric Sounding (MIPAS), are used to verify and complement the simulations. The Lagrangian transport simulation of the volcanic plume is compared with MIPAS aerosol measurements and shows good agreement. Both the simulations and the observations presented in this study suggest that volcanic plumes from the Merapi eruption were transported to the south of 60° S 1 month after the eruption and even further to Antarctica in the following months. This relatively fast meridional transport of volcanic aerosol was mainly driven by quasi-horizontal mixing from the TTL to the extratropical lower stratosphere, and most of the quasi-horizontal mixing occurred between the isentropic surfaces of 360 to 430 K. When the plume went to Southern Hemisphere high latitudes, the polar vortex was displaced from the South Pole, so that the volcanic plume was carried to the South Pole without penetrating the polar vortex. Although only 4 % of the sulfur injected by the Merapi eruption was transported into the lower stratosphere south of 60° S, the Merapi eruption contributed up to 8800 t of sulfur to the Antarctic lower stratosphere. This indicates that the long-range transport under favorable meteorological conditions enables a moderate tropical volcanic eruption to be an important remote source of sulfur for the Antarctic stratosphere.