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High Performance Computing in Science & Engineering 2012


The 15th Results and Review Workshop of the HLRS, October 10-11, 2012
at the High Performance Computing Center Stuttgart, Allmandring 30, 70569 Stuttgart


Wednesday, October 10th, 2012

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: Solid State Physics
Chairman: Prof. Dr. Peter Nielaba, Universität Konstanz

9:15 Molecular Dynamcs Simulations of Laser Ablation in Metals: Parameter Dependence,
Extended Models and Double Pulses
Johannes Roth, Johannes Karlin, Marc Sartison, Armin Krauß, Hans-Rainer Trebin
Institut für Theoretische und Angewandte Physik, Universität Stuttgart

9:40 Ab-initio calculations of the vibrational properties of nanostructures
Gabriel Bester and Peng Han
Theory of Semiconductor Nanostructures
Max-Planck-Institut für Festkörperforschung, Stuttgart

Session 2: Physics
Chairman: Prof. Dr. Peter Nielaba, Universität Konstanz

10:05 Electronic and optical excitations of aminopyrimidine molecules from many-body
perturbation theory
A. Riefer, M. Rohrmüller, M. Landmann, S. Sanna, E. Rauls, U. Gerstmann
and W.G. Schmidt
Lehrstuhl für Theoretische Physik, Universität Paderborn

10:30 Break

10:50 Spinodal Decomposition Kinetics of Colloid-Polymer Mixtures
Including Hydrodynamic Interactions
Alexander Winkler, Peter Virnau and Kurt Binder
Institut für Physik, Komet 331, Johannes Gutenberg-Universität Mainz

11:15 Simulation of pre-planetesimal collisions with smoothed particle hydrodynamics II
R.J. Geretshauser, F. Meru, K. Schaal, R. Speith and W. Kley
Institut für Astronomie und Astrophysik, CPT, Universität Tübingen

11:40 Stability of the strongest magnetic fields
B. Zink, P.D. Lasky, K.D. Kokkotas
Institut für Astronomie und Astrophysik, Universität Tübingen

12:05 Lunch

Session 3: Climate Research
Chairman: Dr. Rolf Rabenseifner, Universität Stuttgart

13:10 Setting up Regional Climate Simulations for Southeast Asia
Patrick Laux et al.
Institute of Meteorology and Climate Research,
Atmospheric Environmental Research (IMK-IFU), Karlsruhe Institute of Technology

13:35 Numerical investigation of stratified turbulence
Sebastian Remmler, Stefan Hickel
Lehrstuhl für Aerodynamik und Strömungsmechanik, TU München

Session 4: CFD
Chairman: Prof. Dr.-Ing. Ewald Krämer, Universität Stuttgart

14:00 Discontinuous Galerkin for High Performance Computational Fluid Dynamics
Christoph Altmann, Andrea Beck, Andreas Birkefeld, Gregor Gassner
and Florian Hindenlang
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

14:25 Computational Aeroacoustics with Higher Order Methods
E. Rebecca Busch, Michael S. Wurst, Manuel Keßler, Ewald Krämer
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

14:50 Effects of an oblique roughness on hypersonic boundary-layer transition
Gordon Groskopf and Markus J. Kloker
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

15:15 Break

15:35 Large-Eddy Simulation of Supersonic Film Cooling at Incident Shock-Wave Interaction
Martin Konopka, Matthias Meinke and Wolfgang Schröder
Institute of Aerodynamics, RWTH Aachen University

16:00 Large-Eddy Simulations of Stratified and Non-Stratified T-junction Mixing Flows
David Klören, Eckart Laurien
Institut für Kernernergetik und Energiesysteme, Universität Stuttgart

16:25 Water droplet flow paths and droplet deposition in low pressure steam turbines
J. Starzmann, M.V. Casey and J.F. Mayer
Institut für Thermische Strömungsmaschinen und Maschinenlaboratorium
Universität Stuttgart

Session 5: Reacting Flows
Chairman: Prof. Dr. Dietmar H. Kröner, Universität Freiburg

16:50 Conservative Implementation of LES-CMC for turbulent jet flames
P. Siwaborworn, A. Kronenburg
Institut für Technische Verbrennung, Universität Stuttgart

17:15 Numerical Investigation of a Complete Scramjet Demonstrator Model for Experimental
Testing under Flight Conditions
Yann Simsont, Peter Gerlinger, Manfred Aigner
Institut für Verbrennungstechnik der Luft- und Raumfahrt, Universität Stuttgart

17:40 Break

19:15 Workshop Dinner

Thursday, October 11th, 2012

9:00 Poster Session
Chairman: Prof. Dr. Dietmar H. Kröner, Universität Freiburg

Euler deconvolution of GOCE gravity gradiometry data
Matthias Roth, Nico Sneeuw, Wolfgang Keller
Institute of Geodesy, University of Stuttgart

Parameterization of Threshold Accepting: The Case of Economic Capital Allocation
Burghof, H.-P. and Müller, J.
Lehrstuhl für Bankwirtschaft und Finanzdienstleistungen 510F, Universität Hohenheim

Reduction of numerical sensitivities in crash simulations on HPC-Computers
Christiana Eck, Oliver Mangold, Raphael Prohl, Anton Tkachuk
Höchstleistungsrechenzentrum Universität Stuttgart (HLRS)

HMDB51 - A Large Video Database for Human Motion Recognition
Hildegard Kühne, Hueihan Jhuang, Thomas Serre
Institute for Anthropomathics, Karlsruhe Institute of Technology

Application of the unified turbulent flame-speed closure (UTFC) combustion model
to numerical computation of turbulent gas flames
Feichi Zhang, Peter Habisreuther and Henning Bockhorn
Engler-Bunte-Institute, Division for Combustion Technology
Karlsruhe Institute of Technology

Lagrangian approach for the prediction of slagging and fouling
in pulverized coal combustion
Lemp, O., Schnell, U., Scheffknecht, G.
Institut für Feuerungs- und Kraftwerkstechnik, Universität Stuttgart

Effect of wall roughness seen by particles in turbulent channel and pipe flows
Michael Breuer and Michael Alletto
Professur für Strömungsmechanik, Institut für Mechanik,
Helmut-Schmidt-Universität Hamburg

Simulation of Compressible Viscous Flow with an Immersed Boundary Method
B. Jastrow, F. Magagnato
Fachgebiet Strömungsmaschinen, Karlsruhe Institute of Technology

Numerical and experimental examination of shock control bump flow physics
K. Nübler, S.P. Colliss, T. Lutz, H. Babinsky and E. Krämer
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

MPC and Coarray Fortran: alternatives to classic MPI implementations on the examples
of scalable lattice Boltzmann flow solvers
Markus Wittmann, Georg Hager, Gerhard Wellein, Thomas Zeiser, Bettina Krammer
Regionales Rechenzentrum Erlangen (RRZE)
Friedrich-Alexander-Universität Erlangen-Nürnberg

Modelling Near Future Regional Climate Change for Germany and Africa
H.-J. Panitz, G. Fosser, R. Sasse, A. Selinger, H. Feldmann, G. Schädler
Institute for Meteorology and Climate Research, Karlsruhe Institute of Technology

The Agulhas System as a Key Region of the Global Oceanic Circulation
Durgadoo and Biastoch
Helmholtz-Zentrum für Ozeanforschung (GEOMAR), Kiel

Electronic Surface Properties of Transparent Conducting Oxides: An ab initio Study
Benjamin Höffling and Friedhelm Bechstedt
Institut für Festkörpertheorie und -optik, Friedrich-Schiller-Universität Jena

Surface magnetism - relativistic effects at semiconductor interfaces and solar cells
U. Gerstmann, M. Rohrmüller, N.J. Vollmers, A. Konopka, S. Greulich-Weber,
E. Rauls, M. Landmann, S. Sanna, A. Riefer, W.G. Schmidt
Theoretische Physik, Universität Paderborn

Constraints on the two-flavour QCD phase diagram from imaginary chemical potential
O. Philipsen, Ph. de Forcrand
Institut für Theoretische Physik, Goethe-Universität Frankfurt

Parallel Computer Algebra and Feynman Integrals
P.A. Baikov, K.G. Chetyrkin, J.H. Kühn, P. Marquard, M. Steinhauser, T. Ueda
Institut für Theoretische Teilchenphysik, Karlsruhe Institute of Technology

Multi relaxation time lattice Boltzmann simulations of multiple component
fluid flows in porous media
S. Schmieschek, A. Narvaez, J. Harting
Institute for Computational Physics, University of Stuttgart

The SuperN-Project: Porting and Optimizing VERTEX-PROMETHEUS on the Cray XE6
at HLRS for Three-Dimensional Simulations of Core-Collapse Supernova Explosions
F. Hanke, A. Marek, B. Müller and H.-Th. Janka
Max-Planck-Gesellschaft, Max-Planck-Institut für Astrophysik, Garching

9:54 Poster Exhibit

10:45 Poster Discussion

11:00 Break

11:15 Tutorials (parallel tracks)

Tutorial A: Introduction to Parallel Tools
Dr. Nicholas Allsopp, Cray
Tutorial B: Overview of the new MPI-3.0 Standard
Dr. Rolf Rabenseifner, HLRS

12:05 Guided Tour - HLRS Supercomputer Facilities & Virtual Reality

13:20 Lunch

Session 6: Miscellaneous Topics
Chairman: Prof. Dr. Dietmar H. Kröner, Universität Freiburg

14:10 Software Framework ug4: Parallel Multigrid on the Hermit Supercomputer
I. Heppner, M. Lampe, A. Nägel, S. Reiter, M. Rupp, A. Vogel and G. Wittum
Goethe Center for Scientific Computing (G-CSC), Goethe-Universität Frankfurt

14:35 Simulation of liquid-liquid equilibria with molecular models optimized to vapor-liquid
equilibria and model development for Hydrazine and two of its derivatives
Stefan Eckelsbach, Thorsten Windmann, Ekaterina Elts, Jadran Vrabec
Thermodynamik und Energietechnik, Universität Paderborn

15:00 A particle-in-cell Method to model the Influence of Partial Melt on Mantle Convection
Ana-Catalina Plesa, Doris Breuer and Tilman Spohn
Institute of Planetology, University of Münster

15:25 A Forward Model of Mantle Convection with Evolving Continents
and a Model of the Andean Subduction Orogen
Uwe Walzer, Roland Hendel, Christoph Köstler, Markus Müller, Jonas Kley
and Lothar Viereck-Götte
Institut für Geowissenschaften, Fachbereich Geodynamik
Friedrich-Schiller-Universität Jena

15:50 Break

16:05 Efficient Parallelization of a Three-Dimensional High-Order Particle-in-Cell Method
Applied to Gyrotron Resonator Simulations
Jonathan Neudorfer, Andreas Stock, Torsten Stindl, Rudolf Schneider, Sabine Roller,
Claus-Dieter Munz and Monika Auweter-Kurtz
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

16:30 Distributed FE Analysis of Multiphase Composites Regarding 3D Elasticity Problem
Kai Schrader, Carsten Könke
Institute of Structural Mechanics, Bauhaus-Universität Weimar

16:55 Characterization of Carrier Sense Multiple Access in Vehicular Propagation Channels
Jens Mittag, Hannes Hartenstein
Steinbuch Centre for Computing, Karlsruhe Institute of Technology

17:20 Awarding of Golden Spikes of HLRS

17:35 End