Beskow Inauguration

Tuesday 27 Jan 2015, 10:00 → 23:00 Europe/Stockholm

F2 (KTH Campus)

KTH, together with the Swedish National Infrastructure for Computing (SNIC), and industrial partners has recently purchased the most powerful supercomputer in the Nordic countries, named “Beskow” after Elsa Beskow. Beskow provides unprecedented computational power of close to two Petaflops (2*10¹⁵ floating point operations per second). The system will provide a major push for Swedish academia in areas such as fluid dynamics, climate modelling, plasma physics, neuroscience, materials science and molecular simulation, as well as for industry.

This event will inaugurate Beskow officially and will include a scientific workshop presenting examples of the types of research that will be performed on Beskow.

Registration is now closed. If you are interested in attending please contact Erwin Laure.

10:00 → 12:00 Inauguration

10:00 Peter Gudmundson, Rektor KTH

10:10 Helene Hellmark Knutsson, Minister for Higher Education and Research

10:20 Sven Stafström, Director General, Swedish Research Council

10:30 Mille Millnert, Chair of the Board, SNIC

10:40 Anni Hellman, Deputy Head of Unit, EC

10:50 Sanzio Bassini, PRACE Council Chair

11:00 Dan Henningson, Director Swedish e-Science Research Center (SeRC)

11:10 Sven-Åke Edström, Senior Vice President R&D, Scania

11:20 John Josephakis, Vice President Worldwide Sales, Cray

11:30 Mark Spargo, Worldwide HPC Sales Director, Intel

12:00 → 13:00 Lunch

13:00 → 17:00 Scientific Workshop

13:00 Keynote - "Spectral/hp element, scale resolving modelling for high Reynolds number F1 Aerodynamics"

The use of computational tools in industrial flow simulations is well established. As engineering design continues to evolve and become ever more complex there is an increasing demand for more accurate transient flow simulations. It can, using existing methods, be extremely costly in computational terms to achieve sufficient accuracy in these simulations. Accordingly, advanced engineering industries, such as the F1 industry, is looking to academia to develop the next generation of techniques which may provide a mechanism for more accurate simulations without excessive increases in cost.
Currently, the most established methods for industrial flow simulations, including F1, are based upon the Reynolds Averaged Navier-Stokes (RANS) equations which are at the heart of most commercial codes. There is naturally an implicit assumption in this approach of a steady state solution. In practice, however, many industrial problems involve unsteady or transient flows which the RANS techniques are not well equipped to deal with. In order to therefore address increasing demand for more physical models in engineering design, commercial codes do include unsteady extensions such as URANS (Unsteady RANS), and Direct Eddy Simulation (DES). Unfortunately even on high performance computing facilities these types of computational models require significantly more execution time which, to date, has not been matched with a corresponding increase in accuracy of a level sufficient to justify this costs. Particularly when considering the computing restrictions the F1 rules impose on the race car design.
Alternative transient simulation techniques have been developed within research and academic communities over the past few decades. These methods have generally been applied to more academic transient flow simulations with a significantly reduced level of turbulence modelling. As the industrial demand for transient simulations becomes greater and the computer "power per $" improves, alternative computational techniques, not yet widely adopted by industry, are likely to provide a more cost effective tool from the perspective of computational time for a high level of accuracy.
In this presentation we will outline the demands imposed on computational aerodynamics within the highly competitive F1 race car design and discuss the next generation of transient flow modelling that the industry is looking to impact on this design cycle.

Prof. Spencer Sherwin
Department of Aeronautics, Imperial College London

Spencer Sherwin is the McLaren Racing/Royal Academy of Engineering Research Chair in the Department of Aeronautics at Imperial College London. He received his MSE and PhD from the Department of Mechanical and Aerospace Engineering Department at Princeton University. During his time at Imperial he has maintained a successful research program into the development and application of the high order spectral/hp element techniques with particular application to separated unsteady aerodynamics, biomedical flow and understanding flow physics through instability analysis.
Professor Sherwin’s research group (www.sherwinlab.info) also develops and distributes the openware spectral/hp element package Nektar++ (www.nektar.info) which has been applied to direct numerical simulation and stability analysis to a range of applications including vortex flows of relevance to offshore engineering and vehicle aerodynamics and biomedical flows associated with arterial atherosclerosis. He has published over 120 peer-reviewed papers in international journals covering topics from numerical analysis to applied and fundamental fluid mechanics and co authored a highly cited book on the spectral/hp element method. Currently he is an associate director of the EPSRC/Airbus funded Laminar Flow Control Centre and is the chair of the EPSRC Platform for Research in Simulation Methods (PRISM) at Imperial College London (www.prism.ac.uk).

Speaker: Prof. Spencer Sherwin (Department of Aeronautics, Imperial College London)

Slides Stockholm2015.pdf

13:40 HPC and turbulent boundary layers on airplane wings

Speaker: Philipp Schlatter (KTH)

Slides Schlatter-beskow.pdf

14:00 Swedish climate modeling research - the Beskow perspective

Speaker: Gunilla Svensson (Stockholm University)

Slides Svensson.pdf

14:20 Strong scaling molecular dynamics with GROMACS: from 1 to 53632 cores

Speaker: Berk Hess (KTH)

14:40 Coffee

15:10 Keynote - "Exascale computing to explore nanoscale machines"

Everything the living things do can be understood in terms of the jiggling and wiggling of atoms". This insight of Richard Feynmann is the basic motivation for molecular dynamics simulations, that explore the dynamics of biomolecular machines at the atomic level to unravel their unusual variety of functions, optimized through billions of years of evolution. Molecular dynamics simulation results will be presented that provide an accurate and detailed view on two primary biological processes: neuronal signal transduction through the action of potassium ion channels and the mechanism of multispecific molecular recognition in protein degradation.

Prof. Bert de Groot
Max Planck Institute for Biophysical Chemistry, Göttingen, Germany

Bert de Groot is Head of the computational bimolecular dynamics group at the Max-Planck Institute for Biophysical Chemistry, Göttingen, Germany and Adjunct Professor at the Physics Faculty of the University of Göttingen. His research interests are on protein structure-dynamics- function relationships, studied by computational techniques.
In particular: the use of large-scale molecular dynamics simulations and related techniques for the study of biomolecular dynamics at the atomic level tailored to unravel the functional mechanism of proteins and other biological macromolecules and complexes;
the use of reduced dimensionality methods not only to analyse molecular dynamics sim- ulation trajectories but also to develop novel simulation techniques tailored at enhancing simulation efficiency;
the use of molecular dynamics simulations and related techniques in the elucidation and refinement of macromolecular structures based on experimental data (x- ray, NMR, EM);
development and application of alternative simulation approaches, like the CONCOORD method, to address questions that because of size and/or timescale issues are not accessible by conventional molecular dynamics simulations.

Speaker: Bert de Groot (Max Planck Institute for Biophysical Chemistry)

Slides DeGroot-Stockholm2015.pdf

15:50 Escience development of quantum and quantum-classical computer modelling

Speakers: Hans Ågren (KTH), Zilvinas Rinkevicius (KTH)

Slides Beskow-Dalton.pdf

16:10 Theory for Accelerated Materials Design: New Tool for the 3rd Millennium Materials Science

Speaker: Igor Abrikosov (Linköping University)

16:30 Multiscale simulations of magnetisaton dynamics

Speaker: Olle Eriksson (Uppsala University)

18:00 → 22:00 Dinner