Mastering the scales: a survey on the benefits of multiscale computing software. (8th April 2019)

• Record Type: Journal Article
• Authors: Groen, Derek; Knap, Jaroslaw; Neumann, Philipp; Suleimenova, Diana; Veen, Lourens; Leiter, Kenneth
• Is Part Of: Philosophical transactions. Volume 377:Number 2142(2019)
• Publication Date: 2019-04-08
• Subjects: multiscale computing -- multiscale modelling -- multiscale simulation -- high-performance computing -- usability; Physical sciences -- Periodicals; Engineering -- Periodicals; Mathematics -- Periodicals; 500
• DOI: 10.1098/rsta.2018.0147
• Languages: English
• ISSNs: 1364-503X

Abstract

Abstract : In the last few decades, multiscale modelling has emerged as one of the dominant modelling paradigms in many areas of science and engineering. Its rise to dominance is primarily driven by advancements in computing power and the need to model systems of increasing complexity. The multiscale modelling paradigm is now accompanied by a vibrant ecosystem of multiscale computing software (MCS) which promises to address many challenges in the development of multiscale applications. In this paper, we define the common steps in the multiscale application development process and investigate to what degree a set of 21 representative MCS tools enhance each development step. We observe several gaps in the features provided by MCS tools, especially for application deployment and the preparation and management of production runs. In addition, we find that many MCS tools are tailored to a particular multiscale computing pattern, even though they are otherwise application agnostic. We conclude that the gaps we identify are characteristic of a field that is still maturing and features that enhance the deployment and production steps of multiscale application development are desirable for the long-term success of MCS in its application fields. This article is part of the theme issue 'Multiscale modelling, simulation and computing: from the desktop to the exascale'.