CONFERENCE PROGRAM

WELCOME TO THE FIRST JARA-HPC SYMPOSIUM AT THE IT CENTER AT RWTH AACHEN UNIVERSIT Y!

This symposium aims at providing a platform for discussions on the various aspects of the development of HPC applications. Here, you will have the opportunity for an in-depth exchange with colleagues from different research fi elds who also make use of HPC systems in their scientifi c work. JARA-HPC is the High Performance Computing section of JARA, the Jülich Aachen Research Alliance.

JARA represents a cooperation between RWTH Aachen University and Forschungs-zentrum Jülich and is a model that is unique in Germany, overcoming the mere juxta-position of university and non-university research and teaching. Scientists from JARA-HPC combine the knowledge of massively parallel computing on supercomputers with the respective expert competences in different research fi elds.

We would like to express our gratitude to the members of the organizing committee, the invited speakers, and the panelists. Special

thanks to the IT Center of RWTH Aachen University for hosting JHPCS’16. We also want to thank each and every one of you for your contribution and participation.

We are pleased to welcome you to Aachen and hope you will enjoy the symposium.

Aachen, October 2016Thomas Lippert · Matthias Müller · Wolfgang SchröderMichaela Bleuel · Edoardo Di Napoli · Marc-André Hermanns · Hristo IlievAndreas Lintermann · Bernd Mohr · Alexander Peyser

WELCOMEJHPCS ‘16

LOCATION:The symposium will take place atIT CenterSeminar rooms 1, 3, and 4 (ground fl oor)RWTH Aachen UniversityKopernikusstraße 652074 Aachen

CONTACT: in urgent cases please contact

Michaela Bleuel: +49 (0)151 1477 4392jhpcs@jara.rwth-aachen.de

http://jhpcs16.jara.org

TOPICS:

· Effi cient multi- physics coupling strategies in CFD

· Performance portability

· Large simulations in Material Science

· Provenance tracking

· CFD-applications using HPC

· Applications at scale

· Aeroacoustics coupling methods

· Coupling methods for reactive fl ows and FSI

KEYNOTE BY VICTOR EIJKHOUT:

The dominant parallel programming systems, MPI and OpenMP, are now 20 years old. Computer architectures have become considerably more complicated in this time, and these systems have undergone refi nements accordingly, making them ever more complicated to use. Maybe it is time to take a step back and reconsider the nature of parallel pro-gramming: is all this complexity necessary at the user level?

absent: Thomas Lippert, Bernd Mohr

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SOCIAL EVENTS ON TUESDAY, OCTOBER 04, 2016>Guided tour of the Aachen Cathedral18.00 - 19.00 h / Meeting point see plan on the rightThe Aachen Cathedral is a special kind of World Heritage Site. The core of this building is more than 1200 years old. The former Palace Chapel of Charlemagne has developed into one of the most interesting cathedrals of Western Europe. Coronation church of German kings, burial site of Charlemagne and major pilgrimage church – the Aachen Cathedral is a “must” for anyone who loves historic buildings and churches. The tour is offered in English.

> Guided tour of the historic old town of Aachen18.00 - 19.00 h / Meeting point see plan on the rightThe historic old town of Aachen invites to go for a stroll. Let yourself be guided through narrow alleys and across historic squares through the 2000 year-old history of Aachen. Experience all facets of Aachen, a modern city with beautiful historic town houses, many old and new fountains and innumerable stories all about the Cathedral and the town hall. The tour is offered in English and will take about 60 minutes.

> Dinner at a traditional German restaurant19.15 - 21.30 h / see plan on the rightThe restaurant “Aachener Brauhaus DEGRAA am Theater” is a located in the heart of Aachen and offers a variety of traditional German dishes.

PROGRAMSOCIAL EVENTS LOCATION

PLAN

INNSIDE Hotel by Melia Sandkaulstr. 20

Bus Stop EurogressPlease take Bus 3A towards

Uniklinik and exit at Seffenter Weg

Bus Stop Mies-van-der-Rohe-StraßeTo go back to the hotel, please take Bus 3B towards Uniklinik and exit at Eurogress

JHPCS’16 at IT CenterKopernikusstraße 6

INNSIDE HotelSandkaulstr. 20

P

Library

Bismarck-

Bergische Gasse

Katschhof

Schinkelstraße

RWTHMain Building

SuperC

Vaalser Straße

Roermonder Str.

Henricistraße

Kruppstraße

Königshügel

Seffenter Weg

Kopernikusstraße

Turm

straße

Mies-van-der-Rohe-Stra

ße

RailwayStationAachen West

Mau

erst

raßeJu

nker

stra

ße

Turm

stra

ße

Lochnerstraße

Gart

enst

raße

Westpark

Melatener Straße

Am Hügel

Muffeter Weg

Maastrichter StraßeHöhenweg

Melatener Straße

Professor-Pirlet-Straße

Eckertweg

Welkenrather Straße

ClaßenstraßeGeschw. Scholl Straße

Intzestraße

IT Center

Campus Mitte

Audimax

Hainbuchenstraße

Bleiberger Straße

Süsterfeldstraße

Ahornstra

ße

Aachener Brauhaus DEGRAAKapuzinergraben 4

Meeting point “Dom-Information” for the guided toursopposite to the “Schatzkammer”

TUESDAY, OCTOBER 04

08:45 - 09:00

09:00 - 10:00

10:00 - 10:30

10:30 - 11:00

11:00 - 11:30

11:30 - 12:00

12:00 - 12:30

12:30 - 13:30

13:30 - 14:00

14:00 - 14:30

14:30 - 15:00

15:00 - 15:30

15:30 - 16:00

16:00 - 16:30

16:30 - 17:00

18:00 - 19:00

19:15 - 21:30

Symposium opening

Keynote by Victor Eijkhout

Coffee break

SESSION 1: EFFICIENT MULTI-PHYSICS COUPLING STRATEGIES IN CFD Chair: Andreas Lintermann

Partitioned high performance code coupling applied to CFD

Dynamic load balancing for large-scale multiphysics simulations

On the signifi cance of exposure time in computational blood damage estimation

A partitioned methodology for conjugate heat transfer on dynamic structures

Lunch

SESSION 2: PERFORMANCE PORTABILITY Chair: Edoardo Di Napoli

Performance optimization of parallel applications in diverse ad-hoc development teams

Hybrid CPU-GPU generation of the Hamiltonian and Overlap matrices in FLAPW methods

Visualizing performance data with respect to the simulated geometry

Coffee break

SESSION 3: LARGE SIMULATION IN MATERIAL SCIENCE Chair: Edoardo Di Napoli

Ab initio description of optoelectronic properties at defective interfaces in solar cells

Scale bridging simulations of large deformations and bainitic transformations

Multi-scale modelling of energy material properties from ab initio to continuum methods

Social event: Guided tour of the historic old town of Aachen or Aachen Cathedral

Social event: Dinner at the traditional German restaurant DEGRAA

10:30 - 11:00

11:00 - 11:30

11:30 - 12:00

12:00 - 12:30

12:30 - 13:30

13:30 - 14:00

14:00 - 14:30

14:30 - 15:00

15:00 - 15:30

15:30- 16:45

16:45 - 17:00

MINIWORKSHOP: AEROACOUSTICS COUPLING METHODS Chair: Wolfgang Schröder

Lunch

SESSION 6: COUPLING METHODS FOR REACTIVE FLOWS AND FSI Chair: Matthias Meinke

A novel approach for effi cient chemistry tabulation in reactive fl ow simulations

Fluid-structure interaction with vortex methods and the fi nite element method

Multi-scale coupling for predictive injector simulations

Coffee break

Panel discussion “Scaling applications: In-house development or cross-disciplinary work?”Moderator: Matthias MüllerPanelists: Victor Eijkhout, Georg Hager, Stefan Kollet, Abigail Morrison, Marie-Christine Sawley

Symposium closing

Parallel adaptive integration in high-performance functional Renormalization Group computations

FEniCS-HPC: Coupled multiphysics in computational fl uid dynamics

Simulating realistic mouse brain using point neuron model and experimental data on petascale computers

The direct-hybrid method for computational aeroacoustics on HPC systems

Overlapping of communication and computationin nb3dfft for 3d Fast Fourier Transformations

Farfi eld noise prediction using large-scale Lattice-Boltzmann simulations

Highly parallel ab initio calculations for thermoelectric applications

A hybrid CFD-CAA coupling method for the predic-tion of fl ow and sound of human hemi-larynx

WEDNESDAY, OCTOBER 05

10:00 - 10:30 Coffee break

SESSION 5: APPLICATIONS AT SCALE Chair: Hristo Iliev

08:30 - 09:00

09:00 - 09:30

09:30 - 10:00

SESSION 4: PROVENANCE TRACKING Chair: Boris Orth

MINIWORKSHOP: CFD-APPLICATIONS USING HPC Chair: Andreas Lintermann

Integrating HPC into a collaborative simulation-analysis workfl ow for computational neuroscience

Large-scale computational aeroacoustic simulations of a supersonic jet

UniProv: A fl exible provenance tracking system for UNICORE

Leadership class computing for combustion applications

Framework for sharing of highly resolved turbulence simulation data

Applied aerodynamics simulation on the K computer; from golf ball to urban wind