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High Performance Computing in Science & Engineering 2006

The 9th Results and Review Workshop of the HLRS, October 19-20, 2006
at the High Performance Computing Center Stuttgart, Allmandring 30, 70569 Stuttgart


Thursday, October 19th, 2006

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

9:10 Opening
Prof. Dr. Wolfgang Nagel (Chairman of the Steering Committee of HLRS)

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

9:25 Efficient implementation of nonlinear deconvolution methods for implicit large-eddy simulation
S. Hickel and N.A. Adams
Lehrstuhl für Aerodynamik, TU München

9:50 Rheological properties of binary and ternary amphiphilic fluid mixtures
Jens Harting and Giovanni Giupponi
University of Stuttgart, ICP

10:15 Prediction of the Resonance Characteristics of Combustion Chambers on the Basis of Large-Eddy Simulation
Franco Magagnato, Balazs Pritz, Horst Buchner, Martin Gabi
Fachgebiet Strömungsmaschinen, Universität Karlsruhe (TH)

10:40 Break

Session 2: CFD
Chairman: Prof. Dr.-Ing. S. Wagner, Universität Stuttgart

11:00 Aeroelastic Simulations of Isolated Rotors Using Weak Fluid Structure Coupling
M. Dietz, M. Kessler and E. Krämer
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

11:25 Investigation of the influence of the inlet geometry on the flow in a swirl burner
Manuel García-Villalba, Jochen Fröhlich, Wolfgang Rodi
Institut für Hydromechanik, Universität Karlsruhe

11:50 Direct Numerical Simulation and Analysis of the Flow Field Around a Swept Laminar Separation Bubble
Tilman Hetsch, Ulrich Rist
Institut für Aerodynmaik und Gasdynamik, Universität Stuttgart

12:15 Lunch

Session 3: Physics & Computer Science

13:00 Gravitational Wave Signals from Simulations of Black Hole Dynamics
Bernd Bruegmann, Jose Gonzalez, Mark Hannam, Sascha Husa, Pedro Marronetti, Ulrich Sperhake, Wolfgang Tichy
Theoretisch Physikalisches Institut, Universität Jena

13:25 The SuperN-Project: Understanding core collapse supernovae
A. Marek, K. Kifonidis, H.-Th. Janka, B. Müller
Max-Planck Institut fuer Astrophysik, Garching

13:50 Anomalous water optical absorption: Large-scale first-principles simulations
WG Schmidt, S Blankenburg, S Wippermann, A Hermann, PH Hahn, M Preuss, K Seino,
Theoretische Physik, Universität Paderborn

14:15 Object-Oriented SPH-Simulations with Surface Tension
S.Ganzenmüller, A.Nagel, S.Holtwick, W.Rosenstiel, H.Ruder
Department of Computer Engineering, University of Tübingen

14:40 Break

15:00 Poster Session
Chairman: Prof. Dr. Wolfgang Nagel, Technische Universität Dresden

MHD Code Optimizations and Jets in Dense Gaseous Halos
V. Gaibler, M. Vigelius, M. Krause and M. Camenzind
Landessternwarte Königstuhl, Zentrum für Astronomie, Universität Heidelberg

The electronic structures of nanosystems: calculating the ground states of sodium nanoclusters and the actuation of carbon nanotubes
B. Huber, L. Pastewka, P. Koskinen, M. Moseler
Freiburger Materialforschungszentrum, Universität Freiburg

Simulations of Particle Suspensions at the Institute for Computational Physics
Jens Harting, Martin Hecht, and Hans Herrmann
University of Stuttgart, ICP

Scalable Parallel Suffix Array Construction
Fabian Kulla, Peter Sanders
Institut für Theoretische Informatik, Algorithmik II, Universität Karlsruhe (TH)

Monte Carlo Simulations of Strongly Correlated and Frustrated Quantum Systems
C. Lavalle, S. R. Manmana, S. Wessel, A. Muramatsu
Institut fuer Theoretische Physik III, Universität Stuttgart

Theoretical Investigation of the Self-Diffusion on Au(100)
K.Pötting, T.Jacob and W.Schmickler
Department of Theoretical Chemistry, University of Ulm

First-Principles Molecular-Dynamics Investigations of Oxidation Processes at the Interface between Oxidised Silicon and Water
Lucio Colombi Ciacchi and Peter Gumbsch
Fraunhofer Institut für Werkstoffmechanik, Freiburg

Molecular Modeling of Hydrogen Bonding Fluids: Monomethylamine, Dimethylamine, and Water Revised
Thorsten Schnabel, Jadran Vrabec, Hans Hasse
Institute of Thermodynamics and Thermal Process Engineering, University of Stuttgart

Numerical Prediction of the Residual Stress State after Shot Peening
Manuel Klemenz, Marc Zimmermann, Volker Schulze, Detlef Löhe
Institut für Werkstoffkunde I, Universität Karlsruhe (TH)

Wave propagation in automotive structures induced by impact events
Steffen Mattern, Karl Schweizerhof
Institut für Mechanik, Universität Karlsruhe (TH)

The Agulhas System as a Key Region of the Global Oceanic Circulation
Arne Biastoch and Claus W. Böning
Leibniz-Institut für Meereswissenschaften, Universität Kiel

Direct Numerical Simulation of Mixing and Chemical Reactions in a Round Jet into a Crossflow - a Benchmark
J.A. Denev, J. Fröhlich, H.Bockhorn
Institut für Technische Chemie und Polymerchemie, Universität Karlsruhe (TH)

Parallel Large Eddy Simulation with UG
Andreas Hauser
Simulation in Technology, Interdisciplinary Center for Scientific Computing, University of Heidelberg

LES and DNS of melt flow and heat transfer in Czochralski crystal growth
A. Raufeisen, M. Breuer, V. Kumar, T. Botsch, and F. Durst
Verfahrenstechnik, FH Nürnberg

Large-Eddy Simulation of Tundish Flow
N. Alkishriwi, M. Meinke and W. Schröder
Aerodynamisches Institut, RWTH Aachen

Investigations of flow and species transport in packed beds by lattice Boltzmann simulations
Thomas Zeiser
Regionales Rechenzentrum Erlangen, Universität Erlangen-Nürnberg

Investigation of turbulent channel flows at intermeadiate Reynolds numbers
Kamen Beronov, Nagihan Özyilmaz
LSTM Erlangen, FAU Erlangen

The effects of vortex generator arrays on heat transfer and flow field
C. F. Dietz, M. Henze, S. O. Neumann, J. von Wolfersdorf, B. Weigand
Institut für Thermodynamik der Luft- und Raumfahrt, Universität Stuttgart

Computational Study of the Aeroelastic Equilibrium Configuration of a Swept Wind Tunnel Wing Model in Subsonic Flow
Lars Reimer
Chair for Computational Analysis of Technical Systems, RWTH Aachen University

16:00 Poster Exhibit

16:30 Poster Discussion

17:15 Guided Tour I – HLRS Supercomputer Facilities & Virtual Reality

18:15 Guided Tour II – HLRS Supercomputer Facilities & Virtual Reality

19:30 Workshop Dinner

Friday, October 20th, 2006

Session 4: Solid State Physics & Chemistry

9:00 Nano-Systems in External Fields and Reduced Geometry: Numerical Investigations
P. Henseler, C. Schieback, K. Franzrahe, F. Bürzle, M. Dreher, J. Neder, W. Quester, M. Kläui, U. Rüdiger, P. Nielaba
Physics Department, University of Konstanz

9:25 Signal transport and finite bias conductance in and through correlated nanostructures
Peter Schmitteckert, Günter Schneider
Institut für Theorie der Kondensierten Materie, Universität Karlsruhe

9:50 Characterization of Catalyst Surfaces by STM Image Calculations
Roman Kovacik, Bernd Meyer, Dominik Marx
Lehrstuhl fuer Theoretische Chemie, Ruhr-Universität Bochum

10:15 What is transported by aquaporins
Marek Dynowski and Uwe Ludewig
Pflanzenphysiologie, ZMBP, Universität Tübingen

10:40 Break

Session 5: Miscellaneous topics & Structural Mechanics
Chairman: Prof. Dr.-Ing. P. Wriggers, Universität Hannover

11:00 Continental Growth and Thermal Convection in the Earth's Mantle
Uwe Walzer, Roland Hendel, and John Baumgardner
Institut für Geowissenschaften, Universität Jena

11:25 Efficient Satellite based Geopotential Recovery
O. Baur, G. Austen and W. Keller
Institute of Geodesy, Universität Stuttgart

11:50 The Application of a Black-Box Solver with Error Estimate to Different Systems of PDEs
Torsten Adolph, Willi Schönauer
Institut für Wissenschaftliches Rechnen, Forschungszentrum Karlsruhe

12:15 Computer-aided destruction of complex structures by blasting
Steffen Mattern, Gunther Blankenhorn, Karl Schweizerhof
Institut für Mechanik, Universität Karlsruhe (TH)

12:40 Lunch

Session 6: CFD
Chairman: Prof. Dr.-Ing. S. Wagner, Universität Stuttgart

13:25 Direct Numerical Simulation of Primary Breakup Phenomena in Liquid Sheets
Wolfgang Sander and Bernhard Weigand
Institut für Thermodynamik der Luft- und Raumfahrt, Universität Stuttgart

13:50 Large Eddy Simulation Of Open-Channel Flow Over Spheres
Thorsten Stösser, Wolfgang Rodi
Institut für Hydromechanik, Universität Karlsruhe (TH)

14:15 Numerical Simulation of the Bursting of a Laminar Separation Bubble
Olaf Marxen and Dan Henningson
Department of Mechanics, Royal Institute of Technology (KTH), Stockholm, Sweden

14:40 Numerical Investigation and Simulation of Transition Effects in Hypersonic Intake Flows
Dipl. Ing. Martin Krause, Dr. Birgit Reinartz, Prof. Josef Ballmann
Lehr- und Forschungsgebiet fuer Mechanik, RWTH Aachen

15:05 Awarding of Golden Spikes of HLRS

15:30 Tutorial: Performance Analysis for leading-edge HPC systems
Wolfgang E. Nagel, Holger Brunst, Andreas Knüpfer (Lecturer), Matthias Jurenz, Matthias Müller
ZIH, Dresden University of Technology
This tutorial presents the state-of-the-art of performance analysis for leading-edge HPC systems, focusing on trace-based program visualization with Vampir. The overall goal is to show the real potential of modern tools for program analysis and its scalability to thousands of CPUs. In addition, we will show how these tools can be used to diagnose and locate typical performance bottlenecks in real-world parallel programs.

17:30 End