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The LEXIS (Large-scale EXecution for Industry & Society) Weather and Climate Pilot is developing a system for the prediction of water-related phenomena and their associated socioeconomic impacts. The system is based on multiple models chained together, as global weather models, high-resolution regional weather models, domain-specific application models (hydrological and forest fire risk forecasts), and impact models providing information (such as air quality and rainfall intensity) for key decisions and policymakers. This chapter describes the key aspect of this pilot in terms of serving model output data and products with cloud and high-performance data analytics environments, on top of a Weather Climate Data API, as well as the porting of models on the LEXIS infrastructure via different virtualization strategies (as virtual machine and dockers).

The e-Science environment developed in the framework of the EU-funded DRIHM project was used to demonstrate its ability to provide relevant, meaningful hydrometeorological forecasts. This was illustrated for the tragic case of 4 November 2011, when Genoa, Italy, was flooded as the result of heavy, convective precipitation that inundated the Bisagno catchment. The Meteorological Model Bridge (MMB), an innovative software component developed within the DRIHM project for the interoperability of meteorological and hydrological models, is a key component of the DRIHM e-Science environment. The MMB allowed three different rainfall-discharge models (DRiFt, RIBS and HBV) to be driven by four mesoscale limited-area atmospheric models (WRF-NMM, WRF-ARW, Meso-NH and AROME) and a downscaling algorithm (RainFARM) in a seamless fashion. In addition to this multi-model configuration, some of the models were run in probabilistic mode, thus giving a comprehensive account of modelling errors and a very large amount of likely hydrometeorological scenarios (> 1500). The multi-model approach proved to be necessary because, whilst various aspects of the event were successfully simulated by different models, none of the models reproduced all of these aspects correctly. It was shown that the resulting set of simulations helped identify key atmospheric processes responsible for the large rainfall accumulations over the Bisagno basin. The DRIHM e-Science environment facilitated an evaluation of the sensitivity to atmospheric and hydrological modelling errors. This showed that both had a significant impact on predicted discharges, the former being larger than the latter. Finally, the usefulness of the set of hydrometeorological simulations was assessed from a flash flood early-warning perspective.

From 1970 to 2012, about 9,000 high-impact weather events were reported globally, causing the loss of 1.94 million lives and damage of $2.4 trillion (U.S. dollars). The scientific community is called to action to improve the predictive ability of such events and communicate forecasts and associated risks both to affected populations and to those making decisions. At the heart of this challenge lies the ability to have easy access to hydrometeorological data and models and to facilitate the necessary collaboration between meteorologists, hydrologists, and computer science experts to achieve accelerated scientific advances. Two European Union (EU)-funded projects, Distributed Research Infrastructure for Hydro-Meteorology (DRIHM) and DRIHM to United States of America (DRIHM2US), sought to help address this challenge by developing a prototype e-science environment providing advanced end-to-end services (models, datasets, and postprocessing tools), with the aim of paving the way to a step change in how scientists can approach studying these events, with a special focus on flood events in complex topographic areas. This paper describes the motivation and philosophy behind this prototype e-science environment together with certain key components, focusing on hydrometeorological aspects that are then illustrated through actionable research for a critical flash flood event that occurred in October 2014 in Liguria, Italy.

Extreme hydrometeorological events such as flash floods have caused considerable loss of life and damage to infrastructure over recent years. Flood events in the Mediterranean region between 1990 and 2006 caused over 4,500 fatalities and cost over EUR29 billion in damage, with Italy one of the worst affected countries. The Distributed Computing Infrastructure for Hydro-Meteorology (DRIHM) project is a European initiative aiming at providing an open, fully integrated eScience environment for predicting, managing, and mitigating the risks related to such extreme weather phenomena. Incorporating both modeled and observational data sources, it enables seamless access to a set of computing resources with the objective of providing a collection of services for performing experiments with numerical models in meteorology, hydrology, and hydraulics. The purpose of this article is to demonstrate how this flexible modeling architecture has been constructed using a set of standards including the NetCDF and WaterML2 file formats, in-memory coupling with OpenMI, controlled vocabularies such as CF Standard Names, ISO19139 metadata, and a Model MAP (Metadata, Adaptors, Portability) gateway concept for preparing numerical models for standardized use. Hydraulic results, including the impact to buildings and hazards to people, are given for the use cases of the severe and fatal flash floods, which occurred in Genoa, Italy in November 2011 and October 2014.

The Poisson-Boltzmann equation models the electrostatic potential generated by fixed charges on a polarizable solute immersed in an ionic solution. This approach is often used in computational structural biology to estimate the electrostatic energetic component of the assembly of molecular biological systems. In the last decades, the amount of data concerning proteins and other biological macromolecules has remarkably increased. To fruitfully exploit these data, a huge computational power is needed as well as software tools capable of exploiting it. It is therefore necessary to move towards high performance computing and to develop proper parallel implementations of already existing and of novel algorithms. Nowadays, workstations can provide an amazing computational power: up to 10 TFLOPS on a single machine equipped with multiple CPUs and accelerators such as Intel Xeon Phi or GPU devices. The actual obstacle to the full exploitation of modern heterogeneous resources is efficient parallel coding and porting of software on such architectures. In this paper, we propose the implementation of a full Poisson-Boltzmann solver based on a finite-difference scheme using different and combined parallel schemes and in particular a mixed MPI-CUDA implementation. Results show great speedups when using the two schemes, achieving an 18.9x speedup using three GPUs. © 2014 José Colmenares et al.

The allocation of jobs to a set of heterogeneous resources, as in common e-Science environments, is a key issue for their efficient use. To reach a better coupling and improve execution times of applications, a consolidated though challenging opportunity is the benchmarking of resources. In this direction, we propose to exploit two complementary approaches, the micro and application-driven benchmarks, which allow to grasp the behavior of computational contexts with respect to more realistic workloads and to lead to a more efficient assignment of the submitted jobs to resources. To evaluate the appropriateness of our methodology an experimentation on a test bed was carried-out. A first comparison of benchmarking results highlighted differences in performance amongst the two levels of benchmarks. Moreover the appropriateness of adopting benchmarking information to rank resources was also confirmed by examining different allocation strategies through a queuing network simulator.

The allocation of resources to jobs running on e-Science infrastructures is a key issue for scientific communities. In order to provide a better efficiency of computational jobs we propose an SLA-aware architecture. The core of this architecture is a scheduler relying on resource performance information. For performance characterization we propose a two-level benchmark that includes tests corresponding to specific e-Science applications. In order to evaluate the proposal we present simulation results for the proposed architecture.