391 research outputs found

    Heterogeneous hierarchical workflow composition

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    Workflow systems promise scientists an automated end-to-end path from hypothesis to discovery. However, expecting any single workflow system to deliver such a wide range of capabilities is impractical. A more practical solution is to compose the end-to-end workflow from more than one system. With this goal in mind, the integration of task-based and in situ workflows is explored, where the result is a hierarchical heterogeneous workflow composed of subworkflows, with different levels of the hierarchy using different programming, execution, and data models. Materials science use cases demonstrate the advantages of such heterogeneous hierarchical workflow composition.This work is a collaboration between Argonne National Laboratory and the Barcelona Supercomputing Center within the Joint Laboratory for Extreme-Scale Computing. This research is supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, under contract number DE-AC02- 06CH11357, program manager Laura Biven, and by the Spanish Government (SEV2015-0493), by the Spanish Ministry of Science and Innovation (contract TIN2015-65316-P), by Generalitat de Catalunya (contract 2014-SGR-1051).Peer ReviewedPostprint (author's final draft

    How much soil dust aerosol is man-made?

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    Subseasonal predictions for climate services, a recipe for operational implementation

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    The implementation of operational climate service prototypes, which encompasses the co-design and delivery of real-time actionable products with/to stakeholders, contributes to efficiently leveraging operational climate predictions into actionable climate information by providing practical insight on the actual use of climate predictions. This work showcases a general guideline for implementing an operational climate service based on subseasonal predictions. At this timescale, many strategic decisions can benefit from timely predictions of climate variables. Still, the use of subseasonal predictions is not fully exploited. Here, we describe the key aspects considered to set up an operational climate service from the conception to the production phase. These include the choice of the subseasonal systems, the data sources and the methodology employed for post-processing the predictions. To illustrate the process with a real case, we present the detailed workflow design of the implementation of a climate service based on subseasonal predictions and describe the bias adjustment and verification methodologies implemented. This work was developed in the H2020 S2S4E project, where industrial and research partners co-developed a fully-operational Decision Support Tool (DST) providing 18 months of real-time subseasonal and seasonal forecasts tailored to the specific needs of the renewable energy sector. The operational workflow can be adapted to serve forecast products to other sectors, as has been proved in the H2020 vitiGEOSS project, where the workflow was modified to provide downscaled subseasonal predictions to specific locations. We consider this a valuable contribution to future developments of similar service implementations and the producers of the climate data.The research leading to these results has received funding from the European Union’ss Horizon 2020 research and innovation programme under Grants 7767874 (S2S4E) and 869565 (VitiGEOSS). ECMWF-Ext-ENS real-time predictions used for the operational prototype were provided by the Subseasonal to Seasonal (S2S) Prediction Project’s Real-Time Pilot Initiative to S2S4E Project as one of the participating projects. The data can be obtained from the S2S Project database through its two data portals: ECMWF ( https://apps.ecmwf.int/datasets/data/s2s/levtype=sfc/type=cf/) and CMA ( http://s2s.cma.cn/index). The ECMWF ERA-5 reanalysis was accessed from Copernicus Climate Change Service (C3S) Climate Data Store ( https://cds.climate.copernicus.eu/#!/home).Peer ReviewedPostprint (published version

    A Conceptual Architecture for a Quantum-HPC Middleware

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    Quantum computing promises potential for science and industry by solving certain computationally complex problems faster than classical computers. Quantum computing systems evolved from monolithic systems towards modular architectures comprising multiple quantum processing units (QPUs) coupled to classical computing nodes (HPC). With the increasing scale, middleware systems that facilitate the efficient coupling of quantum-classical computing are becoming critical. Through an in-depth analysis of quantum applications, integration patterns and systems, we identified a gap in understanding Quantum-HPC middleware systems. We present a conceptual middleware to facilitate reasoning about quantum-classical integration and serve as the basis for a future middleware system. An essential contribution of this paper lies in leveraging well-established high-performance computing abstractions for managing workloads, tasks, and resources to integrate quantum computing into HPC systems seamlessly.Comment: 12 pages, 3 figure

    Accelerating Materials Development via Automation, Machine Learning, and High-Performance Computing

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    Successful materials innovations can transform society. However, materials research often involves long timelines and low success probabilities, dissuading investors who have expectations of shorter times from bench to business. A combination of emergent technologies could accelerate the pace of novel materials development by 10x or more, aligning the timelines of stakeholders (investors and researchers), markets, and the environment, while increasing return-on-investment. First, tool automation enables rapid experimental testing of candidate materials. Second, high-throughput computing (HPC) concentrates experimental bandwidth on promising compounds by predicting and inferring bulk, interface, and defect-related properties. Third, machine learning connects the former two, where experimental outputs automatically refine theory and help define next experiments. We describe state-of-the-art attempts to realize this vision and identify resource gaps. We posit that over the coming decade, this combination of tools will transform the way we perform materials research. There are considerable first-mover advantages at stake, especially for grand challenges in energy and related fields, including computing, healthcare, urbanization, water, food, and the environment.Comment: 22 pages, 3 figure

    The EC-Earth3 Earth system model for the Coupled Model Intercomparison Project 6

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    The Earth system model EC-Earth3 for contributions to CMIP6 is documented here, with its flexible coupling framework, major model configurations, a methodology for ensuring the simulations are comparable across different high-performance computing (HPC) systems, and with the physical performance of base configurations over the historical period. The variety of possible configurations and sub-models reflects the broad interests in the EC-Earth community. EC-Earth3 key performance metrics demonstrate physical behavior and biases well within the frame known from recent CMIP models. With improved physical and dynamic features, new Earth system model (ESM) components, community tools, and largely improved physical performance compared to the CMIP5 version, EC-Earth3 represents a clear step forward for the only European community ESM. We demonstrate here that EC-Earth3 is suited for a range of tasks in CMIP6 and beyond.The development of EC-Earth3 was supported by the European Union's Horizon 2020 research and innovation program under project IS-ENES3, the third phase of the distributed e-infrastructure of the European Network for Earth System Modelling (ENES) (grant agreement no. 824084, PRIMAVERA grant no. 641727, and CRESCENDO grant no. 641816). Etienne Tourigny and Raffaele Bernardello have received funding from the European Union’s Horizon 2020 research and innovation program under Marie Skłodowska-Curie grant agreement nos. 748750 (SPFireSD project) and 708063 (NeTNPPAO project). Ivana Cvijanovic was supported by Generalitat de Catalunya (Secretaria d'Universitats i Recerca del Departament d’Empresa i Coneixement) through the Beatriu de Pinós program. Yohan Ruprich-Robert was funded by the European Union's Horizon 2020 research and innovation program in the framework of Marie Skłodowska-Curie grant INADEC (grant agreement 800154). Paul A. Miller, Lars Nieradzik, David Wårlind, Roland Schrödner, and Benjamin Smith acknowledge financial support from the strategic research area “Modeling the Regional and Global Earth System” (MERGE) and the Lund University Centre for Studies of Carbon Cycle and Climate Interactions (LUCCI). Paul A. Miller, David Wårlind, and Benjamin Smith acknowledge financial support from the Swedish national strategic e-science research program eSSENCE. Paul A. Miller further acknowledges financial support from the Swedish Research Council (Vetenskapsrådet) under project no. 621-2013-5487. Shuting Yang acknowledges financial support from a Synergy Grant from the European Research Council under the European Community's Seventh Framework Programme (FP7/2007-2013)/ERC (grant agreement 610055) as part of the ice2ice project and the NordForsk-funded Nordic Centre of Excellence project (award 76654) ARCPATH. Marianne Sloth Madsen acknowledges financial support from the Danish National Center for Climate Research (NCKF). Andrea Alessandri and Peter Anthoni acknowledge funding from the Helmholtz Association in its ATMO program. Thomas Arsouze, Arthur Ramos, and Valentina Sicardi received funding from the Ministerio de Ciencia, Innovación y Universidades as part of the DeCUSO project (CGL2017-84493-R).​​​​​​​Peer Reviewed"Article signat per 61 autors/es: Ralf Döscher, Mario Acosta, Andrea Alessandri, Peter Anthoni, Thomas Arsouze, Tommi Bergman, Raffaele Bernardello, Souhail Boussetta, Louis-Philippe Caron, Glenn Carver, Miguel Castrillo, Franco Catalano, Ivana Cvijanovic, Paolo Davini, Evelien Dekker, Francisco J. Doblas-Reyes, David Docquier, Pablo Echevarria, Uwe Fladrich, Ramon Fuentes-Franco, Matthias Gröger, Jost v. Hardenberg, Jenny Hieronymus, M. Pasha Karami, Jukka-Pekka Keskinen, Torben Koenigk, Risto Makkonen, François Massonnet, Martin Ménégoz, Paul A. Miller, Eduardo Moreno-Chamarro, Lars Nieradzik, Twan van Noije, Paul Nolan, Declan O'Donnell, Pirkka Ollinaho11, Gijs van den Oord, Pablo Ortega, Oriol Tintó Prims, Arthur Ramos, Thomas Reerink, Clement Rousset, Yohan Ruprich-Robert, Philippe Le Sager, Torben Schmith, Roland Schrödner, Federico Serva, Valentina Sicardi, Marianne Sloth Madsen, Benjamin Smith, Tian Tian, Etienne Tourigny, Petteri Uotila, Martin Vancoppenolle, Shiyu Wang, David Wårlind, Ulrika Willén, Klaus Wyser, Shuting Yang, Xavier Yepes-Arbós, and Qiong Zhang"Postprint (author's final draft

    The EC-Earth3 Earth system model for the Coupled Model Intercomparison Project 6

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    The Earth system model EC-Earth3 for contributions to CMIP6 is documented here, with its flexible coupling framework, major model configurations, a methodology for ensuring the simulations are comparable across different high-performance computing (HPC) systems, and with the physical performance of base configurations over the historical period. The variety of possible configurations and sub-models reflects the broad interests in the EC-Earth community. EC-Earth3 key performance metrics demonstrate physical behavior and biases well within the frame known from recent CMIP models. With improved physical and dynamic features, new Earth system model (ESM) components, community tools, and largely improved physical performance compared to the CMIP5 version, EC-Earth3 represents a clear step forward for the only European community ESM. We demonstrate here that EC-Earth3 is suited for a range of tasks in CMIP6 and beyond.Peer reviewe

    The EC-Earth3 Earth system model for the Coupled Model Intercomparison Project 6

    Get PDF
    The Earth system model EC-Earth3 for contributions to CMIP6 is documented here, with its flexible coupling framework, major model configurations, a methodology for ensuring the simulations are comparable across different high-performance computing (HPC) systems, and with the physical performance of base configurations over the historical period. The variety of possible configurations and sub-models reflects the broad interests in the EC-Earth community. EC-Earth3 key performance metrics demonstrate physical behavior and biases well within the frame known from recent CMIP models. With improved physical and dynamic features, new Earth system model (ESM) components, community tools, and largely improved physical performance compared to the CMIP5 version, EC-Earth3 represents a clear step forward for the only European community ESM. We demonstrate here that EC-Earth3 is suited for a range of tasks in CMIP6 and beyond
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