High Performance Computing in Science & Engineering - 20th Results and Review Workshop of the HLRS

Research & Science
High Performance Computing in Science & Engineering - 20th Results and Review Workshop of the HLRS

The fee for the workshop is € 175.00 including the proceedings (which will be delivered to the participants about 5 months after the workshop) and will be invoiced just after the workshop.

On-line Registration: closed
Local registration available at the workshop.

Agenda


Thursday, October 5th, 2017

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

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

Session 1: CFD
Chairman: Prof. Dr.-Ing. Ewald Krämer, Universität Stuttgart

9:15 Mesoscale simulations of Janus particles and deformable capsules in flow
Othmane Aouane, Qingguang Xie, Andrea Scagliarini, and Jens Harting
Helmholtz Institute Erlangen-Nürnberg for Renewable Energy, Forschungszentrum Jülich GmbH

9:40 Numerical Analysis of a Propeller Turbine Operated in Part Load Conditions
Bernd Junginger and Stefan Riedelbauch
Institut für Strömungsmechanik und Hydraulische Strömungsmaschinen, Universität Stuttgart

10:05 Optimization and HPC-Applications of the Flow Solver FLOWer
Johannes Letzgus, Lukas Dürrwächter, Ulrich Schäferlein, Manuel Keßler, and Ewald Krämer
Institute of Aerodynamics and Gas Dynamics, University of Stuttgart

10:30 Break

10:50 Numerical investigation of the turbulent wake of generic space launchers
S. Loosen, V. Statnikov, M. Meinke, and W. Schröder
Institute of Aerodynamics, RWTH Aachen

11:15 Control of Spatially Developing Turbulent Boundary Layers for Skin Friction Drag Reduction
Alexander Stroh
Institut für Strömungsmechanik, Karlsruhe Institute of Technology (KIT)

11:40 Control of traveling crossflow vortices using plasma actuators
P. C. Dörr, Z. Guo, J. M. F. Peter, and M. J. Kloker
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

12:05 Towards the Implementation of a New Multigrid Solver in the DNS Code FS3D
for Simulations of Shear-Thinning Jet Break Up at Higher Reynolds Numbers
Moritz Ertl, Jonathan Reutzsch, Arne Nägel, Gabriel Wittum, and Bernhard Weigand
Institut für Thermodynamik der Luft- und Raumfahrt, Universität Stuttgart

12:30 Lunch

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

13:45 Automated Code Generation for Maximizing Performance of Detailed Chemistry Calculations
in OpenFOAM
Thorsten Zirwes, Feichi Zhang, Jordan A. Denev, Peter Habisreuther, and Henning Bockhorn
Engler-Bunte-Institute / Combustion Technology, Karlsruhe Institute of Technology (KIT)

14:10 Towards affordable LES of rocket combustion engines
Roman Keller, Martin Grader, Peter Gerlinger, and Manfred Aigner
Institut für Verbrennungstechnik der Luft- und Raumfahrt, Universität Stuttgart

14:35 Break

Session 3: Transport and Climate Research
Chairman: Prof. Dr. Dietmar H. Kröner, Universität Freiburg

14:45 Regional Climate Simulations with COSMO-CLM: Ensemble, Very High Resolution
and Paleoclimate
G. Schädler, H.-J. Panitz, E. Christner, H. Feldmann, M.Karremann, and N. Laube
Institute of Meteorology and Climate Research, Karlsruhe Institute of Technology (KIT)

15:10 Seasonal Simulation of Weather Extremes
Thomas Schwitalla, Volker Wulfmeyer, and Kirsten Warrach-Sagi
Institute of Physics and Meteorology, University of Hohenheim

15:35 Break

Session 4: Miscellaneous Topics
Chairman: Prof. Dr. Dietmar H. Kröner, Universität Freiburg

15:55 Massively parallel multigrid for the simulation of skin permeation
on anisotropic tetrakaidecahedral cell geometries
Sebastian Reiter, Arne Nägel, Andreas Vogel, and Gabriel Wittum
Goethe Center for Scientific Computing, Goethe-Universität Frankfurt

16:20 The impact of pores on microstructure evolution:
A phase-field study of pore-grain boundary interaction
V. Rehn, J. Hötzer, M. Kellner, M. Seiz, C. Serr, W. Rheinheimer,
M. J. Hoffmann, and B. Nestler
Institut für Angewandte Materialien, Karlsruher Institut für Technologie (KIT)

16:45 EXAHD - An Exa-Scalable Two-Level Sparse Grid Approach for Higher-Dimensional
Problems in Plasma Physics and Beyond
Mario Heene, Alfredo Parra Hinojosa, Michael Obersteiner, Hans-Joachim Bungartz,
and Dirk Pflüger
Institut für Parallele und Verteilte Systeme, Universität Stuttgart
Chair of Scientific Computing, Department of Informatics, Technical University of Munich

17:10 Break

19:00 Workshop Dinner


Friday, October, 6th, 2017

9:00 Poster Session
Chairman: Prof. Dr. Holger Fehske, Universität Greifswald

Numerical analysis of heat transfer during cooling of supercritical fluid by means
of direct numerical simulation
Sandeep Pandey, Xu Chu, and Eckart Laurien
Institut für Kernenergetik und Energiesysteme, Universität Stuttgart

Application and Development of the High Order Discontinuous Galerkin Spectral Element
Method for Compressible Multiscale Flows
Andrea Beck, Thomas Bolemann, David Flad, Hannes Frank, Nico Krais,
Kristina Kukuschkin, Matthias Sonntag, and Claus-Dieter Munz
Institute of Aerodynamics and Gas Dynamics, University of Stuttgart

Development of an Aerodynamics Kit for a Formula Student Race Car
Maximilian Knoll and Junyan Zhang
KA-Raceing e.V., Karlsruhe Institute of Technology (KIT)

Numerical Simulations of Artificial Disturbance Influence on a High Lift Airfoil
Katharina Wawrzinek, Thorsten Lutz, and Ewald Krämer
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

About the influence of wind tunnel walls, tower and nozzle on the performance
of a model wind turbine
Annette Klein (née Fischer), Sven Zabel, Thorsten Lutz, and Ewald Krämer
Institute of Aerodynamics and Gas Dynamics, University of Stuttgart

A resolved simulation study on the interactions between droplets and turbulent flames
using OpenFOAM
B. Wang, H. Chu, A. Kronenburg, and O. T. Stein
Institut für Technische Verbrennung, Universität Stuttgart

Regional scale aerosol-chemistry forecasts over southern West Africa
Konrad Deetz and Bernhard Vogel
Institute of Meteorology and Climate Research, Karlsruhe Institute of Technology (KIT)

High resolution WRF simulations for climate change studies in Germany
Kirsten Warrach-Sagi, Viktoria Mohr, and Volker Wulfmeyer
Institut für Physik und Meteorologie, Universität Hohenheim

Real data applications of seismic full waveform inversion
A. Kurzmann, L. Gaßner, R. Shigapov, N. Thiel, N. Athanasopoulos, T. Bohlen,
and T. Steinweg
Geophysical Institute, Karlsruhe Institute of Technology (KIT)

Modeling the Interior Dynamics of Terrestrial Planets
Ana-Catalina Plesa, Christian Hüttig, and Florian Willich
Institute of Planetary Research, German Aerospace Center, Berlin

Pebble Dynamics and Accretion Processes near planetary Embryos
Giovanni Picogna
Institut für Astronomie und Astrophysik, Eberhard Karls Universität Tübingen

PAMOP: large-scale calculations supporting experiments and astrophysical applications
B. McLaughlin, C.P. Ballance, M.S. Pindzola, P.C. Stancil, J.F. Babb, S. Schippers,
and A. Müller
Centre for Theoretical Atomic, Molecular and Optical Physics, Queen's University Belfast

Phenomenology of Strange Resonances
P. Alba, R. Bellwied, S. Borsanyi, Z. Fodor, et.al.
Physik, Universität Wuppertal

Many-Body Effects in Fragmented, Depleted, and Condensed Bosonic Systems in Traps
and Optical Cavities by MCTDHB and MCTDH-X
Ofir E. Alon, Raphael Beinke, Christoph Bruder, Lorenz S. Cederbaum, Shachar Klaiman,
Axel U. J. Lode, Kaspar Sakmann, Marcus Theisen, Marios C. Tsatsos, Storm E. Weiner,
and Alexej I. Streltsov
Theoretical Chemistry, University of Heidelberg

Energetics of double-stranded DNA and RNA: a density functional theory approach
Sergio Cruz Leon, Mara Prentiss, and Maria Fyta
Institute for Computational Physics, University of Stuttgart

Photo-excited surface dynamics from massively parallel constrained-DFT calculations
A. Lücke, T. Biktagirov, A. Riefer, M. Landmann, M. Rohrmtüller, C. Braun,
S. Neufeld, U. Gerstmann, and W.G. Schmidt
Lehrstuhl für Theoretische Materialphysik, Universität Paderborn

9:48 Poster Exhibit

10:45 Poster Discussion

11:00 Break

11:15 Tutorial
Towards efficient codes for sustainable High Performance Computing
Ursula Paul, Björn Dick, HLRS and Michael Kellner, Institute of Applied Science, KIT

12:00 Guided Tour
HLRS Supercomputer Facilities & Virtual Reality

13:15 Lunch

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

14:05 Blood proteins and their interactions with nanoparticles investigated
using molecular dynamics simulations
Timo Schäfer, Jiajia Zhou, Friederike Schmid, and Giovanni Settanni
Institute of Physics, Johannes-Gutenberg University Mainz

14:30 Cosmic large-scale structure in the IllustrisTNG simulations
Volker Springel, Ruediger Pakmor, Dylan Nelson, Annalisa Pillepich, Rainer Weinberger,
Lars Hernquist, Shy Genel, Mark Vogelsberger, Federico Marinacci, Jill Naiman,
and Paul Torrey
Heidelberg Institute for Theoretical Studies, Heidelberg University

14:55 HypeBBH - High performance computing services at HLRS
Luciano Rezzolla, Federico Guercilena, and Elias Roland Most
Institut für Theoretische Physik, Johann Wolfgang Goethe-Universität Frankfurt

15:20 Break

Session 6: Molecules, Interfaces, and Solids
Chairman: Prof. Dr. Markus Uhlmann, Karlsruher Institut für Technologie

15:35 Sum Frequency Generation spectra from velocity-velocity correlation functions:
new developments and applications
Rémi Khatib and Marialore Sulpizi
Physics, Johannes Gutenberg University Mainz

16:00 Sulfur in ethylene epoxidation on silver
Travis Jones
Department of Inorganic Chemistry,
Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin

16:25 Dynamic Material Parameters in Molecular Dynamics and Hydrodynamic Simulations
on Ultrashort-Pulse Laser Ablation of Aluminum
Stefan Scharring, Marco Patrizio, Hans-Albert Eckel, Johannes Roth, and Mikhail Povarnitsyn
Institute for Functional Matter and Quantum Technologies, University of Stuttgart

16:50 Rotating Nano Gears
Martin Hummel, Michael Böhm, Peter Binkele, and Siegfried Schmauder
Institut für Materialprüfung, Werkstoffkunde und Festigkeitslehre, Universität Stuttgart

17:15 Awarding of Golden Spikes of HLRS

17:30 End

<H1>Agenda</H1>

<H2><FONT COLOR="#FF6600">&mdash; preliminary &mdash;</FONT></H2>

<!-- insert table with agenda -->
      <TABLE BORDER=0 CELLSPACING=0 CELLPADDING=0>

<BR>

         <TR>
          <TD COLSPAN=3 NOWRAP>
            <B>Thursday, October 13<sup>th</sup>, 2016</B><BR><BR>
          </TD>
        </TR>

        <TR>
          <TD VALIGN=TOP ALIGN=RIGHT><B>9:00</B></TD>
          <TD WIDTH=16></TD>
          <TD ALIGN=LEFT VALIGN=TOP>
            <B>Welcome</B><BR>
            Prof. Dr.-Ing. Dr. h.c. Dr. h.c. Prof. E.h. Michael M. Resch
            (Director of HLRS)<BR>
            <BR>
          </TD>
        </TR>

        <TR>
          <TD VALIGN=TOP ALIGN=RIGHT><B>9:05</B></TD>
          <TD WIDTH=16></TD>
          <TD ALIGN=LEFT VALIGN=TOP>
            <B>Opening</B><BR>
            <!-- Prof. Dr. Dietmar H. Kr&ouml;ner -->
            <!-- (Vice Chairman of the Steering Committee of HLRS)<BR> -->
            Prof. Dr. Wolfgang E. Nagel, Universit&auml;t Dresden<BR>
            (Chairman of the Steering Committee of HLRS)<BR>
            <BR>
          </TD>
        </TR>

        <TR>
          <TD VALIGN=TOP ALIGN=RIGHT></TD>
          <TD WIDTH=16></TD>
          <TD ALIGN=LEFT VALIGN=TOP>
            <B>Session 1: CFD</B><BR>
            <!-- Chairman: Prof. Dr.-Ing. Ewald Kr&auml;mer, Universit&auml;t Stuttgart -->
            Chairman:
            <BR><BR>
          </TD>
        </TR>

        <TR>
          <TD VALIGN=TOP ALIGN=RIGHT><B>9:15</B></TD>
          <TD WIDTH=16></TD>
          <TD ALIGN=LEFT VALIGN=TOP>
<!-- hpcHONK -->
<!-- Vortrag -->
            Real-Gas Jet and Throttle Flows at High Pressure as Simplified Gas Injector Models <BR>
            with a Discontinuous Galerkin Method<BR>
            Fabian Hempert, Sebastian Boblest, Malte Hoffmann, Philipp Offenh&auml;user, Filip Sadlo,<BR>
            Colin W. Glass, Claus-Dieter Munz, Thomas Ertl, and Uwe Iben<BR>
            Institute of Aerodynamics and Gas Dynamics, University of Stuttgart<BR>
          <BR>
          </TD>
         </TR>

        <TR>
           <TD VALIGN=TOP ALIGN=RIGHT><B>9:40</B></TD>
           <TD WIDTH=16></TD>
           <TD ALIGN=LEFT VALIGN=TOP>
<!-- CECSPH & its_sph -->
<!-- Vortrag -->
            Modeling of the deformation dynamics of single and twin fluid droplets exposed to <BR>
            aerodynamic loads and Smoothed Particle Hydrodynamics for Numerical Predictions<BR>
            of Primary Atomization<BR>
            L. Wieth, S. Braun, G. Chaussonnet, T. F. Dauch, M. Keller, C. H&ouml;fler, R. Koch, H.-J. Bauer<BR>
            Institut f&uuml;r Thermische Str&ouml;mungsmaschinen, Karlsruher Institut f&uuml;r Technologie<BR>
          <BR>
          </TD>
         </TR>

        <TR>
           <TD VALIGN=TOP ALIGN=RIGHT><B>10:05</B></TD>
           <TD WIDTH=16></TD>
           <TD ALIGN=LEFT VALIGN=TOP>
<!-- blcon -->
<!-- Vortrag -->
            Control of Spatially Developing Turbulent Boundary Layers for Skin Friction Drag Reduction<BR>
            Alexander Stroh<BR>
            Institute of Fluid Mechanics (ISTM), Karlsruhe Institute of Technology (KIT)<BR>
          <BR>
          </TD>
         </TR>

        <TR>
          <TD VALIGN=TOP ALIGN=RIGHT><B>10:30</B></TD>
          <TD WIDTH=16></TD>
          <TD ALIGN=LEFT VALIGN=TOP><B>Break</B><BR><BR></TD>
         </TR>

        <TR>
           <TD VALIGN=TOP ALIGN=RIGHT><B>10:45</B></TD>
           <TD WIDTH=16></TD>
           <TD ALIGN=LEFT VALIGN=TOP>
<!-- GCS-ARSI/ GCS-NOIJ -->
<!-- Vortrag -->
            Numerical Simulation of Subsonic and Supersonic Impinging Jets II<BR>
            Robert Wilke and J&ouml;rn Sesterhenn<BR>
            Institut f&uuml;r Str&ouml;mungsmechanik und Technische Akustik, Technische Universit&auml;t Berlin<BR>
          <BR>
          </TD>
         </TR>

        <TR>
           <TD VALIGN=TOP ALIGN=RIGHT><B>11:10</B></TD>
           <TD WIDTH=16></TD>
           <TD ALIGN=LEFT VALIGN=TOP>
<!-- GCS-JEAN -->
<!-- Vortrag -->
            Aeroacoustic Simulations of Ducted Axial Fan and Helicopter Engine Nozzle Flows<BR>
            Alexej Pogorelov, Mehmet Onur Cetin, Seyed Mohsen Alavi Moghadam,<BR>
            Matthias Meinke, and Wolfgang Schr&ouml;der<BR>
            Chair of Fluid Mechanics and Institute of Aerodynamics, RWTH Aachen University<BR>
          <BR>
          </TD>
         </TR>

        <TR>
           <TD VALIGN=TOP ALIGN=RIGHT><B>11:35</B></TD>
           <TD WIDTH=16></TD>
           <TD ALIGN=LEFT VALIGN=TOP>
<!-- HELISIM -->
<!-- Vortrag -->
            Adding hybrid mesh capability to a CFD-solver for helicopter flows<BR>
            Ulrich Kowarsch, Timo Hofmann, Manuel Ke&szlig;ler, and Ewald Kr&auml;mer<BR>
            Institute of Aerodynamics and Gas Dynamics, University of Stuttgart<BR>
          <BR>
          </TD>
         </TR>

        <TR>
           <TD VALIGN=TOP ALIGN=RIGHT><B>12:00</B></TD>
           <TD WIDTH=16></TD>
           <TD ALIGN=LEFT VALIGN=TOP>
<!-- LESFT -->
<!-- Vortrag -->