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Flexible composition and execution of large scale applications on distributed e-infrastructures

Zasada, SJ; Chang, DCW; Haidar, AN; Coveney, PV; (2014) Flexible composition and execution of large scale applications on distributed e-infrastructures. JOURNAL OF COMPUTATIONAL SCIENCE , 5 (1) 51 - 62. 10.1016/j.jocs.2013.10.009. Green open access

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Abstract

Computer simulation is finding a role in an increasing number of scientific disciplines, concomitant with the rise in available computing power. Marshalling this power facilitates new, more effective and different research than has been hitherto possible. Realizing this inevitably requires access to computational power beyond the desktop, making use of clusters, supercomputers, data repositories, networks and distributed aggregations of these resources. The use of diverse e-infrastructure brings with it the ability to perform distributed multiscale simulations. Accessing one such resource entails a number of usability and security problems; when multiple geographically distributed resources are involved, the difficulty is compounded. In this paper we present a solution, the Application Hosting Environment,3 which provides a Software as a Service layer on top of distributed e-infrastructure resources. We describe the performance and usability enhancements present in AHE version 3, and show how these have led to a high performance, easy to use gateway for computational scientists working in diverse application domains, from computational physics and chemistry, materials science to biology and biomedicine.

Type: Article
Title: Flexible composition and execution of large scale applications on distributed e-infrastructures
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.jocs.2013.10.009
Publisher version: http://dx.doi.org/10.1016/j.jocs.2013.10.009
Additional information: Copyright © 2014 Elsevier B.V.
Keywords: E-infrastructure, High performance computing, Application virtualization, Usability
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/1461224
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