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.This article is part of the theme issue ‘Multiscale modelling, simulation and computing: from the desktop to the exascale’.

Highlights

  • In science, our goal is to convincingly explain the processes at work in phenomena that we observe, as well as to predict what will occur before it does so

  • To do so we have proposed the concept of Multiscale Computing Patterns (MCPs), which are generic and recurring call sequences at the level of the single-scale components of a multiscale simulation [31]

  • We have proposed and implemented a pilot of MCPs software that takes as input the generic xMML description of a multiscale model, in combination with performance measurements of the components that make up the multiscale model, and interfaces with middleware, such as in our case QCG [40], to propose an optimal mapping of the multiscale simulation to available hardware, and to schedule and execute the simulation

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Summary

Opinion piece

Cite this article: Hoekstra AG, Chopard B, Coster D, Portegies Zwart S, Coveney PV. 2019 Multiscale computing for science and engineering in the era of exascale performance. 2019 Multiscale computing for science and engineering in the era of exascale performance. Multiscale computing for science and engineering in the era of exascale performance Alfons G. 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 focus on simulating multiscale models on high-end computing resources in the face of emerging exascale performance levels. This article is part of the theme issue ‘Multiscale modelling, simulation and computing: from the desktop to the exascale’

Introduction
Dx temporal scale
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Δx Δt
Dx multiscale
Conclusion

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