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Patterns for High Performance Multiscale Computing

Alowayyed, S; Piontek, T; Suter, JL; Hoenen, O; Groen, D; Luk, O; Bosak, B; ... Hoekstra, AG; + view all (2019) Patterns for High Performance Multiscale Computing. Future Generation Computer Systems , 91 pp. 335-346. 10.1016/j.future.2018.08.045. Green open access

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Abstract

We describe our Multiscale Computing Patterns software for High Performance Multiscale Computing. Following a short review of Multiscale Computing Patterns, this paper introduces the Multiscale Computing Patterns Software, which consists of description, optimisation and execution components. First, the description component translates the task graph, representing a multiscale simulation, to a particular type of multiscale computing pattern. Second, the optimisation component selects and applies algorithms to find the most suitable mapping between submodels and available HPC resources. Third, the execution component which a middleware layer maps submodels to the number and type of physical resources based on the suggestions emanating from the optimisation part together with infrastructure-specific metrics such as queueing time and resource availability. The main purpose of the Multiscale Computing Patterns software is to leverage the Multiscale Computing Patterns to simplify and automate the execution of complex multiscale simulations on high performance computers, and to provide both application-specific and pattern-specific performance optimisation. We test the performance and the resource usage for three multiscale models, which are expressed in terms of two Multiscale Computing Patterns. In doing so, we demonstrate how the software automates resource selection and load balancing, and delivers performance benefits from both the end-user and the HPC system level perspectives.

Type: Article
Title: Patterns for High Performance Multiscale Computing
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.future.2018.08.045
Publisher version: https://doi.org/10.1016/j.future.2018.08.045
Language: English
Additional information: This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Keywords: Multiscale computing, High performance computing, Modelling methodology, Distributed computing, Model coupling
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/10058732
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