NAIS Steering Committee

Mark Ainsworth




My research is in the area of numerical analysis of partial differential equations arising in physical sciences. The name of the game is to take a cheap (and often nasty) initial approximation, then, by looking at where the accuracy is unacceptable, design a new approximation by adaptively feeding back information. By continuing in this way, it is possible to end up with a near optimal approximation. At the very least, this can save vast amounts of computer time, or may mean the difference between getting an answer or not in some cases.
Murray Cole
University of Edinburgh
School of Informatics
10 Crichton Street, Edinburgh
+44 (0)131 650 5154
mic@inf.ed.ac.uk
My research interests are in parallel programming models, emphasising approaches which exploit "skeletons" [1] to package well known patterns of computation and interaction as customisable frameworks. Each skeleton specification captures the behaviour of a commonly occurring pattern of computation and interaction, while packaging and hiding the details of its concrete implementation. The application programmer selects the appropriate skeleton and specializes it for a particular application. This simplifies programming by encouraging combination of the appropriate skeletons. Furthermore, it enables optimizations by capturing macro knowledge about the application structure. In contrast, conventional language and library mechanisms only offer the micro implementation structure of individual operations described by a non-skeletal equivalent. Essentially, the skeleton knows what will happen next and can use this knowledge to choose and adjust implementation details. For example, a skeleton implementation may be able to place threads that communicate frequently on cores that share some level of cache memory. This enhances prefetching of data for the next step of a thread computation. Similarly, we can assign additional worker threads to more time consuming operations for load balancing purposes. Such optimizations can be applied to any parallel application for which the programmer has used the corresponding skeleton. Recent efforts have focused on the eSkel and Enhance projects, which investigate these ideas in the contexts of single machine parallelism and Grid computing [2] respectively. Current interests include the exploitation of skeletons in manycore and transactional settings [3] and the transparent exploitation of GPGPU and other heterogeneous platforms.
[1]M. Cole, Bringing Skeletons out of the Closet: A Pragmatic Manifesto for Skeletal Parallel Programming, Parallel Computing vol. 30, num. 3, pp 389-406 (2004)
[2]H. Gonzalez-Velez and M. Cole, Parallelism for Distributed Heterogeneous Architectures: A Methodological Approach with Pipelines and Farms, Concurrency and Computation: Practice and Experience, vol. 22, num. 4, pp. 2073-2094 (2010)
[3]M. Castro, L.F. Wanderley-Goes, C.P Ribeiro, M. Cole, M. Cintra and J. Mehaut, A Machine Learning-Based Approach for Thread Mapping on Transactional Memory Applications, to appear in Proceedings of the 18th Annual International Conference on High Performance Computing (HiPC11), (2011)
Dugald Duncan
Maxwell Institute for Mathematical Sciences
Department of Mathematics
Heriot-Watt University

D.B.Duncan@hw.ac.uk
My main interest is the numerical analysis of time dependent PDEs and related integral equations, particularly in wave propagation and subsurface flows. My current wave propagation work is for time dependent Retarded Potential Boundary Integral Equations with P.J. Davies, Strathclyde University [1,2], and high order methods for 2nd order wave equations with PhD student Mark Payne. My work on subsurface flows involves the use of coupled [3] and decoupled overlapping grids for well test analysis.
[1]H. Brunner, P. J. Davies, and D.B. Duncan,Discontinuous Galerkin approximations for Volterra integral equations of the first kind, IMA JOURNAL OF NUMERICAL ANALYSIS Volume: 29 Issue: 4 Pages: 856-881 (2009)
[2]P.J. Davies, and D.B. Duncan, Stability and convergence of collocation schemes for retarded potential integral equations, SIAM JOURNAL ON NUMERICAL ANALYSIS Volume: 42 Issue: 3 Pages: 1167-1188 (2004)
[3]D.B. Duncan, and Y. Qiu, Overlapping grids for the diffusion equation, IMA JOURNAL OF NUMERICAL ANALYSIS Volume: 27 Issue: 3 Pages: 550-575 (2007)
Alison Kennedy
EPCC
University of Edinburgh

0131 650 5958
a.kennedy@epcc.ed.ac.uk
Alison is the Executive Director of EPCC, a leading European High Performance Computing centre based at the University of Edinburgh. Her role on the NAIS steering committee is to contribute knowledge and expertise about the future challenges facing computational scientists in achieving sustained performaance in the era of exascale computing. Efficent implementations of new algorithms annd software have the potential to deliver significant performance improvements. EPCC helps NAIS to bring together solution providers and the potential end users of these new algorithms and application-oriented methods, working togther on focussed pilot projects to demonstrate the applicability of the NAIS research to the wider computational science community. Alison's background is in software development and in project and programme management, particularly of large collaborative, multi-partner projects.
Benedict Leimkuhler
6322 James Clerk Maxwell Building
University of Edinburgh
Mayfield Road, Edinburgh EH9 3JZ

b.leimkuhler@ed.ac.uk
My NAIS-related research is in the area of molecular simulation algorithms, including methods based on stochastic molecular dynamics (e.g. thermostats), parallel computing algorithms (e.g. for constrained integration) and multiscale methods.
[1]S. Dubinkina, J. Frank, and B. Leimkuhler, Simplified modelling of a thermal bath, with application to a fluid vortex system, SIAM Multiscale Modelling and Simulation 8, pp. 1882–1901, 2011.
[2]A. Jones and B. Leimkuhler, Adaptive stochastic methods for sampling driven molecular systems, Journal of Chemical Physics, to appear (2011)
[3]G. Mazzi and B. Leimkuhler,Dimensional reductions for the computation of time–dependent quantum expectations, SIAM Journal on Scientific Computing 33, pp. 2024-2038 (2011)