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High Performance Computing in Science & Engineering 2011

The 14th Results and Review Workshop of the HLRS, October 4-5, 2011
at the High Performance Computing Center Stuttgart, Allmandring 30, 70569 Stuttgart 

 

Agenda


Tuesday, October 4th, 2011

9:00 Welcome
Prof. Dr.-Ing. Dr. h.c. Dr. h.c. Michael Resch (Director of HLRS)

9:05 Opening
Prof. Dr. Wolfgang E. Nagel (Chairman of the Steering Committee of HLRS)

Session 1: CFD
Chairman: Prof. Dr.-Ing. Siegfried Wagner, Universität Stuttgart

9:15 Highly efficient and scalable software for the simulation of turbulent flows
in complex geometries
Daniel F. Harlacher, Sabine Roller, Florian Hindenlang, Claus-Dieter Munz,
Tim Kraus, Martin Fischer, Koen Geurts, Matthias Meinke,
Tobias Klühspies, Volker Metsch, Katharina Benkert
Applied Supercomputing in Engineering,
German Research School for Simulation Sciences GmbH

9:40 A computation technique for rigid particle flows in an Eulerian framework using the
multiphase DNS code FS3D
Philipp Rauschenberger, Jan Schlottke and Bernhard Weigand
Institut für Thermodynamik der Luft- und Raumfahrt, Universität Stuttgart

10:05 Numerical Simulation of Particle-Laden Turbulent Flows Using LES
M. Breuer and M. Alletto
Professur für Strömungsmechanik, Helmut-Schmidt Universität Hamburg

10:30 Large-Eddy Simulation of Supersonic Film Cooling at Finite Pressure Gradients
Martin Konopka, Matthias Meinke, Wolfgang Schröder
Institute of Aerodynamics, RWTH Aachen University

10:55 Break

11:05 Numerical simulation of laminar-turbulent transition on a dolphin using
the γ-Reθ model
D. Riedeberger, U. Rist
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

11:30 Wall Effects and Corner Separations for Subsonic and Transonic Flow Regimes
Alexander Klein, Sebastian Illi, Klemens Nübler, Thorsten Lutz and Ewald Krämer
Institute of Aerodynamics and Gas Dynamics, University of Stuttgart

11:55 Unsteady numerical study of wet steam flow in a low pressure steam turbine
J. Starzmann, M. V. Casey, J. F. Mayer
Institut of Thermal Turbomachinery and Machinery Laboratory, Universität Stuttgart

12:20 Lunch

Session 2: Reacting Flows
Chairman: Prof. Dr. Dietmar Kröner, Universität Freiburg

13:10 Assessment of Conventional Droplet Evaporation Models for Spray Flames
M.R.G. Zoby, A. Kronenburg, S. Navarro-Martinez, A.J. Marquis
Institut für Technische Verbrennung, University of Stuttgart

13:35 Delayed Detached Eddy Simulations of Compressible Turbulent Mixing Layer and
Detailed Performance Analysis of Scientific Inhouse Code TASCOM3D
Markus Kindler, Peter Gerlinger and Manfred Aigner
Institut für Verbrennungstechnik der Luft- und Raumfahrt, Universität Stuttgart

Session 3: Climate Research
Chairman: Prof. Dr. Christoph Kottmeier, Karlsruher Institut für Technologie, Universität Karlsruhe

14:00 Modelling Near Future Regional Climate Change for Germany and Africa
Hans-Jürgen Panitz, Peter Berg, Gerd Schädler, and Giorgia Fosser
Institut für Meteorologie und Klimaforschung (IMK-TRO), Karlsruher Institut für Technologie

14:25 High-resolution climate predictions and short-range forecasts to improve the process
understanding and the representation of land-surface interactions in the WRF model
in Southwest Germany
Hans-Stefan Bauer, Kirsten Warrach-Sagi, Volker Wulfmeyer, Thomas Schwitalla
and Martin Kim
Institute of Physics and Meteorology, University of Hohenheim

14:50 Direct Numerical Simulation and Implicit Large Eddy Simulation of Stratified Turbulence
S. Remmler & S. Hickel
Lehrstuhl für Aerodynamik und Strömungsmechanik, Technische Universität München

15:15 Break

Session 4: Chemistry & Solid State Physics
Chairman: Prof. Dr. Holger Fehske, Universität Greifswald

15:25 Molecular Modeling of Hydrogen Bonding Fluids: Phase Behavior of Industrial Fluids
Stefan Eckelsbach, Martin Bernreuther, Cemal Engin, Gabriela Guevara-Carrion,
Yow-Lin Huang, Thorsten Merker, Hans Haase, Jadran Vrabec
Lehrstuhl für Thermodynamik und Energietechnik (ThEt), Universität Paderborn

15:50 Constrained Density Functional Theory of Molecular Dimers
Jörn-Holger Franke, Nisanth N. Nair, Lifeng Chi, Harald Fuchs
Physikalisches Institut, Westfälische Wilhelms-Universität Münster

16:15 cuVASP: a GPU-accelerated plane-wave electronic-structure code
S. Maintz, B. Eck, R. Dronskowski
Institut für Anorganische Chemie, RWTH Aachen

16:40 Obtaining the full counting statistics of correlated nanostructures from time dependent
simulations
Peter Schmitteckert
Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT)

17:05 Laser Ablation of Aluminium: Drops and Voids
Johannes Roth, Johannes Karlin, Christian Ulrich, Hans-Rainer Trebin, Steffen Sonntag
Institut für Theoretische und Angewandte Physik, Universität Stuttgart

17:30 Entropy and metal-insulator transition in atomic-scale wires:
The case of In-Si(111)(4x1)/(8x2)
W.G. Schmidt, E. Rauls, U. Gerstmann, S. Sanna, M. Landmann, M. Rohrmüller,
A. Riefer, S. Wippermann, S. Blankenburg
Lehrstuhl für Theoretische Physik, Universität Paderborn

17:55 Break

19:15 Workshop Dinner


Wednesday, October 5th, 2011

9:00 Poster Session
Chairman: Prof. Dr.-Ing. Siegfried Wagner, Universität Stuttgart

"Brute-force" solution of large-scale systems of equations in a
MPI-PBLAS-ScaLAPACK environment
Matthias Roth, Oliver Baur, Wolfgang Keller
Institute of Geodesy, University of Stuttgart

Metallic foam structures, dendrites and implementation optimizations for phase-field
modelling
A. Vondrous, B. Nestler, A. August, E. Wesner, A. Choudhury, J. Hötzer
Institute of Materials and Processes, Hochschule Karlsruhe - Technik und Wirtschaft

Quaero 2010 Speech-to-Text Evaluation Systems
Sebastian Stüker, Kevin Kilgour, Florian Kraft
Karlsruher Institut für Technologie, RG 3-01 'Multilinguale Spracherkennung'

Analysis of the Effects of Wall Boundary Conditions and Detailed Kinetics on the
Simulation of a Gas Turbine Model Combustor Under Very Lean Conditions
F. Rebosio, A. Widenhorn, B. Noll and M. Aigner
Institute of Combustion Technology, DLR - German Aerospace Centre

Oxy-Coal Combustion Modelling at Semi-Industrial Scale
Müller, Michael; Schnell, Uwe; Scheffknecht, Günter
Institut für Feuerungs- und Kraftwerkstechnik, Universität Stuttgart

Discontinuous Galerkin for High Performance Computational Fluid Dynamics (hpcdg)
Christoph Altmann, Andrea Beck, Andreas Birkefeld, Florian Hindenlang,
Marc Staudenmaier, Gregor Gassner and Claus-Dieter Munz
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

LES investigation of turbulent flow in a square duct at Reτ = 600
N. Uddin, S.O. Neumann, B. Weigand
Institut für Thermodynamik der Luft- und Raumfahrt, Universität Stuttgart

Numerical Simulation of Helicopter Wake Evolution, Performance and Trim
Felix Bensing, Martin Embacher, Martin Hollands, Benjamin Kutz,
Manuel Keßler und Ewald Krämer
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

Parameter Study for Scramjet Intake Concerning Wall Temperatures
and Turbulence Modeling
Birgit Reinartz
Chair of Comp. Analysis of Techn. Systems, RWTH Aachen

Turbulence Modelling for CFD-Methods for Containment Flows
Armin Zirkel, Eckart Laurien
Institut für Kernenergetik und Energiesysteme, Universität Stuttgart

The Transport of Mineral Dust towards Hurricane Helene (2006)
Juliane Schwendike, Sarah Jones, Heike Vogel and Bernhard Vogel
Institut für Meteorologie und Klimaforschung, Karlsruher Institut für Technologie (KIT)

Numerical Modelling of Mediterranean Cyclones
Lenz, C.-J.; Corsmeier, U.; Kottmeier, C.
Institut für Meteorologie und Klimaforschung, Karlsruher Institut für Technologie (KIT)

Atomistic simulations of electrolyte solutions and hydrogels with explicit solvent models
Jonathan Walter, Stephan Deublein, Steffen Reiser, Martin Horsch, Jadran Vrabec
and Hans Hasse
Lehrstuhl für Thermodynamik, Technische Universität Kaiserslautern

Cysteine on Gold: An ab-initio Investigation
Benjamin Höffling, Frank Ortmann, Karsten Hannewald, Friedhelm Bechstedt
Institut für Festkörpertheorie und -optik, Friedrich-Schiller-Universität Jena

Ab-initio calculations of the vibrational properties of nanostructures
P. Han and G. Bester
Max-Planck-Institut für Festkörperforschung, Stuttgart, Max-Planck-Gesellschaft

Phase Diagram of the 1D t-J model
A. Moreno, A. Muramatsu, and S. Manmana
Institut für Theoretische Physik III, Universität Stuttgart

The influence of the mass ratio on particle acceleration by the filamentation instability
Patrick Kilian, Thomas Burkart, Felix Spanier
Institut für Theoretische Physik und Astrophysik - Lehrstuhl für Astronomie,
Julius-Maximilians-Universität Würzburg

Copper substrate catalyzes tetraazaperopyrene polymerization
W.G. Schmidt, E. Rauls, U. Gerstmann, S. Sanna, M. Landmann, M. Rohrmüller,
A. Riefer, S. Wippermann, S. Blankenburg
Lehrstuhl für Theoretische Physik, Universität Paderborn

Higgs boson mass bounds from a chirally invariant lattice Higgs-Yukawa
model Theory
P. Gerhold, J. Kallarackal and K. Jansen
NIC, DESY, Zeuthen

Massive and massless four-loop integrals
P. Baikov, K. Chetyrkin, J.H. Kühn, P. Marquard, M. Steinhauser
Institut für Theoretische Teilchenphysik, Karlsruher Institut für Technologie (KIT)

Multiscale modelling failure behavior of polymers
Pattabhi B. Ramaiah, Hossein Talebi
Institute of Structural Mechanics, Bauhaus University of Weimar

10:03 Poster Exhibit

10:45 Poster Discussion

11:00 Break

11:10 Tutorial - Cray XE6 - Computing on more than 100,000 Cores
Dr. Wilfried Oed, Cray

11:55 Guided Tour - HLRS Virtual Reality

13:10 Lunch

Session 5: Physics & Miscellaneous Topics
Chairman: Prof. Dr. Peter Nielaba, Universität Konstanz

13:50 The SuperN-Project: Neutrino Hydrodynamics Simulations of Core-Collapse
Supernovae
B. Müller, L. Hüdepohl, A. Marek, F. Hanke, H.-Th. Janka
Max-Planck-Institut für Astrophysik, Garching, Max-Planck-Gesellschaft

14:15 Simulation of Pre-Planetesimal Collisions with Smoothed Particle Hydrodynamics
R.J. Geretshauser, R. Speith, W. Kley
Institut für Astronomie & Astrophysik, CPT, Universität Tübingen

14:40 QCD critical surfaces at real and imaginary mu
O. Philipsen and Ph. de Forcrand
Institut für Theoretische Physik, Goethe-Universität Frankfurt

15:05 Three-Dimensional Gyrotron Simulation Using a High-Order Particle-in-Cell Method
A. Stock, J. Neudorfer, B. Steinbusch, T. Stindl, R. Schneider, S. Roller,
C.-D. Munz and M. Auweter-Kurtz
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

15:30 Reduction of numerical sensitivities in crash simulations on HPC-Computers
Oliver Mangold, Raphael Prohl, Anton Tkachuk, Vladimir Trickov
HLRS, Universität Stuttgart

15:55 Break

Session 6: Miscellaneous Topics
Chairman: Prof. Dr.-Ing. Wolfgang Schröder, RWTH Aachen

16:05 Allocation of economic capital in banking: A simulation approach
Hans-Peter Burghof, Jan Müller
Lehrstuhl für Bankwirtschaft und Finanzdienstleistungen (510F),
Universität Hohenheim

16:30 The Influence of Partial Melt on Mantle Convection
Ana-Catalina Plesa and Tilman Spohn
Institute of Planetary Research, German Aerospace Centre, Berlin

16:55 Accurate Simulation of Wireless Vehicular Networks based on Ray Tracing
and Physical Layer Simulation
Tristan Gaugel, Lars Reichardt, Jens Mittag, Thomas Zwick, Hannes Hartenstein
Institute of Telematics, Karlsruhe Institute of Technology

17:20 Awarding of Golden Spikes of HLRS

17:35 End