Proceedings of the 3rd bwHPC-Symposium
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Richling, Sabine, Baumann, Martin and Heuveline, Vincent (Eds.): Proceedings of the 3rd bwHPC-Symposium: Heidelberg 2016, Heidelberg: heiBOOKS, 2017.

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ISBN 978-3-946531-70-8 (PDF)

Published 02.10.2017.


Sabine Richling, Martin Baumann and Vincent Heuveline (Eds.)

Proceedings of the 3rd bwHPC-Symposium

Heidelberg 2016

The bwHPC-Symposium is an annual event within the concept for high performance computing in Baden-Württemberg (bwHPC). The focus is on the presentation of the progress and the results of scientific computing projects. In addition, the event also provides the opportunity for an active dialogue between users, the bwHPC service providers and the bwHPC support teams. The present conference volume includes articles of lectures and posters from the 3rd bwHPC-Symposium, which took place on October 12, 2016 in Heidelberg.

Sabine Richling is a research associate at the Heidelberg University Computing Centre (URZ) with focus on data intensive and energy efficient computing.

Martin Baumann is the head of the service unit "Future IT - Research & Education" (FIRE) at the Heidelberg University Computing Centre (URZ). This service unit develops and provides IT services for science, e.g. for high-performance computing, for storage of large scientific data, and for scientific visualization.

Vincent Heuveline is the Director of the Heidelberg University Computing Centre (URZ). As full professor at Heidelberg University he leads the Engineering Mathematics and Computing Lab (EMCL) under the roof of the Interdisciplinary Centre for Scientific Computing (IWR). Furthermore, he is the group leader of the research group “Data Mining and Uncertainty Quantification” at the Heidelberg Institute for Theoretical Studies (HITS gGmbH).

Vincent Heuveline
Welcome to the 3rd bwHPC-Symposium
HPC Systems
Robert Barthel
High-Performance Computing and Coordinated Compute Cluster Competence Centers in Baden-Württemberg
Florina M. Ciorba
The importance and need for system monitoring and analysis in HPC operations and research
Ralf S. Klessen, Simon C. O. Glover, Rowan J. Smith, Paul C. Clark, Volker Springel
Modeling the Dynamics of the Interstellar Medium
Ulrike Schnoor, Felix Bührer
NEMO’s part in investigating the Higgs boson
Wolfgang Wenzel
Multiscale Modelling with Accelerated Algorithms
Life Sciences
Robert H. S. Kraus, Anne Thielsch, Bruno Streit, Klaus Schwenk
The genetic population structure of multiple species of Daphnia waterfleas
Augusto F. Sanches, Eva Gutheil
CFD Study of the Blood Flow in Cerebral Aneurysms Treated with Flow Diverter Stents
Jonathan Schiefer, Stefan Rotter
Estimation of cerebral network structure
Economics and Social Sciences
Lars Leszczensky, Sebastian Pink
The Virtue of High Performance Computing for the Statistical Analysis of Social Networks
Hannes Schwarz
Distributed optimisation of decentralised energy systems under uncertainty on HPC systems
Jan Meisner
Quantum Chemical Simulations for Astrochemistry
Hans-Ullrich Siehl
From experimentel chemistry to in-silico chemistry
Earth Sciences
Hans-Stefan Bauer, Thomas Schwitalla, Volker Wulfmeyer, Oliver Branch, Andreas Behrendt, Shravan Muppa, Florian Späth, Eva Hammann, Andrea Riede, Simon Metzendorf
Multi-scale WRF simulations for atmospheric process understanding and boundary layer research
Poster Contributions
Robert Barthel, Simon Raffeiner
bwUniCluster: Baden-Württemberg’s University Cluster
Robert Barthel, Simon Raffeiner
ForHLR: a New Tier-2 High-Performance Computing System for Research
Martin Baumann, Sotirios Nikas, Fabian Gebhart
Towards a temperature monitoring system for HPC systems
Anders Berg
Numerical Analysis of the Temperature Distribution in a Subway Tunnel
Marcelo Carauta, Thomas Berger
Bio-economic simulation on bwUniCluster: The assessment of sustainable agricultural systems in Southern Amazon, Brazil
Dieter Johann Peter Faltermeier
Theoretical investigation of the demethylation of acetic acid
Ali Farnoud, Ingo Baumann, Eva Gutheil
Numerical Analysis of the Flow and Particle Pattern in a Realistic Human Nasal Cavity
Christopher Hassenrück, Rainer F. Winter
(TD-)DFT-Supported Analysis of Triarylamine Vinyl Ruthenium Conjugates: Spin- and Charge-Delocalization
Jens Krüger, Volker Lutz, Felix Bartusch, Werner Dilling, Anna Gorska, Christoph Schäfer, Thomas Walter
Bioinformatics and Astrophysics Cluster (BinAC)
Volodymyr Kushnarenko, Petra Enderle, Stefan Kombrink, Franziska Ackermann, Uli Hahn, Christopher B. Hauser, Jörg Domaschka, Pia Schmücker, Stefan Wesner
Research Data Management and Virtual Research Environments. Presentation of new collaborating E-Science Projects
D. M.-A. Meyer, E. I. Vorobyov, R. Kuiper, W. Kley
Accretion outbursts in massive star formation
Mehmet Ali Öztürk, Vlad Cojocaru, Rebecca C. Wade
Drosophila melanogaster linker histone (dH1) binding to the nucleosome
Sabine Richling, Martin Baumann, Stefan Friedel, Heinz Kredel
bwForCluster MLS&WISO
Asha Roberts, Peter Comba
Computational Methods to Describe the Magnetic Properties of SMM Systems
Oleksandr Shcherbakov, Kai Polsterer, Volodymyr Svjatnyj
Cost Optimization for Simulations in the Cloud
Dörte C. Sternel, Alexandra Feith
Brainware for Science – the Hessian HPC Competence Center
Christian Troost, Thomas Berger
Simulating climate change adaptation and structural change in agriculture using microsimulation and agent-based modeling
Frank Uhlig, Jens Smiatek, Christian Holm
Many-body effects in simulations of ionic liquids
Dirk von Suchodoletz, Bernd Wiebelt, Gerhard Schneider, Thomas Walter, Stefan Wesner
Overview on governance structures in bwHPC
Bernd Wiebelt, Konrad Meier, Michael Janczyk, Dirk von Suchodoletz
Flexible HPC: bwForCluster NEMO
Bernd Wiebelt, Dirk von Suchodoletz, Michael Janczyk
bwHPC Governance of the ENM community