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Multiscale computing for science and engineering in the era of exascale performance

Hoekstra, AG; Chopard, B; Coster, D; Zwart, SP; Coveney, PV; (2019) Multiscale computing for science and engineering in the era of exascale performance. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences , 377 (2142) , Article 20180144. 10.1098/rsta.2018.0144. Green open access

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Abstract

In this position paper, we discuss two relevant topics: (i) generic multiscale computing on emerging exascale high-performing computing environments, and (ii) the scaling of such applications towards the exascale. We will introduce the different phases when developing a multiscale model and simulating it on available computing infrastructure, and argue that we could rely on it both on the conceptual modelling level and also when actually executing the multiscale simulation, and maybe should further develop generic frameworks and software tools to facilitate multiscale computing. Next, we focus on simulating multiscale models on high-end computing resources in the face of emerging exascale performance levels. We will argue that although applications could scale to exascale performance relying on weak scaling and maybe even on strong scaling, there are also clear arguments that such scaling may no longer apply for many applications on these emerging exascale machines and that we need to resort to what we would call multi-scaling.

Type: Article
Title: Multiscale computing for science and engineering in the era of exascale performance
Open access status: An open access version is available from UCL Discovery
DOI: 10.1098/rsta.2018.0144
Publisher version: https://doi.org/10.1098/rsta.2018.0144
Language: English
Additional information: Published by the Royal Society under the terms of the Creative Commons Attribution License http://creative commons.org/licenses/by/4.0/, which permits unrestricted use, provided the original author and source are credited.
Keywords: multiscale modelling and simulation, multiscale computing, exascale
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10070698
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