Symposium on High Performance Computing (HPC)

Symposium on High Performance Computing (HPC)

on the occasion of the inauguration of Marvin

Research and Technology Center for Detector Physics (FTD)

October 20, 2023

1:00 pm – 5:30 pm, Presentationroom FTD

(please note that festive inauguration ceremony for invited guests takes place before this symposium, reception of participants and distribution of name badges begins at 12:45 pm)

Marvin was put into operation, a big tier 3 HPC cluster and highly important piece of infrastructure for the University of Bonn that many scientists have been waiting for! An ideal occasion to bring together scientists from different fields, whether HPC experts or intensive users, to provide insights into their work to a broad scientific audience. 

TRA Modelling invites all scientists - from PhD students to experienced researchers - to be inspired and informed by the presentations of the seven speakers.

What to expect?

  • Information: Our interdisciplinary speakers from various fields of expertise shed light on aspects of HPC evolution and practical applications of HPC for different scientific questions, often to be answered across disciplines.
  • Time for discussion and networking: You are encouraged to actively participate in the discussions, for which we have allocated 10 minutes after each presentation. Between sessions there will be longer breaks with coffee, cake, drinks and snacks, providing time and opportunity to talk and discuss with each other. So, you can exchange ideas with colleagues, including those from outside your own field of expertise, or simply to get to know each other better.

Who should come?

  • Are you interested in the possibilities that HPC opens up to the scientific communities? Perhaps you are an expert in your field of science and master HPC applications for specific questions of your discipline, but would like to get new inspiration by gaining insights into the use of HPC in other contexts? Or maybe you enjoy lively presentations by experienced researchers from different interesting fields to broaden your view on science in general?

We invite all scientists to join! (Please register until October 18, 2023).

General Information

When: October 20, 2023 1:00 pm - 5:30 pm (distribution of name badges begins at 12:45 pm)

Where: Research and Technology Center for Detector Physics (FTD), Kreuzbergweg 24, 53115 Bonn - Poppelsdorf

Participation: Open to all interested scientists. Participation is free of charge. Registration is mandatory.

Registration (mandatory)

Please register until October 18

Program

Download the extended program here:


Overview

Reception of participants and distribution of name badges (from 12:45 pm)

Session I (1:00 pm till 2:20 pm) - Opening by chair Prof. Dr. Jürgen Gall

  • Prof. Dr. Estela Suarez

Computer Science department, University of Bonn, and Jülich Supercomputing Centre, Forschungszentrum Jülich GmbH

  • Prof. Dr. Jürgen Dölz

Institute for Numerical Simulation, University of Bonn

  • Prof. Dr. Thomas Luu

Institute for Advanced Simulation 4, Forschungszentrum Jülich GmbH, and HISKP, University of Bonn

Time for networking and coffee break (40 minutes)

Session II (3:00 pm till 3:50 pm)

  • Prof. Dr. Peter Krawitz

Institute for Genomic Statistics and Bioinformatics (IGSB), University Hospital Bonn

  • Prof. Dr. Julian Klaus

Department of Geography, University of Bonn

Time for networking and coffee break (45 minutes)

Session III (4:35 pm till 5:25 pm)

  • Prof. Dr. Petra Mutzel

Institute for Computer Science and HPC/A-Lab, University of Bonn

  • Jan Steiner

HRZ HPC Team, University of Bonn

Conclusion and end of the event (5 minutes)

Symposium_High_Perfomance_Computing
© Christina Schiegl

Speakers 

(listed in alphabetic order, program will be hosted by Prof. Dr. Jürgen Gall)

Jürgen_Dölz.jpg
© Jürgen Dölz

Prof. Dr. Jürgen Dölz

On Computational Uncertainty Quantification

Institute for Numerical Simulation (INS)

Member of TRA Modelling

Abstract

We discuss computational aspects in the uncertainty quantification of partial differential equations. The later is commonly referred to as studying how errors and uncertainties in the input data of partial differential equations affect the solution or, vice versa, how the behaviour of the input data can be statistically estimated from measurements. In this context, we discuss efficient computational methods and their implementation.


Prof. Dr. Julian Klaus

Predicting water cycle processes under global change

Department of Geography, University of Bonn 

Member of TRA Sustainable Futures

Abstract

Today we are experiencing a global water crisis with more than two billion people lacking access to safe drinking water. The observed non-stationarity of hydrological systems, together with increasing anthropogenic pressure on catchments, are challenging our current capabilities to understand changes in the global water cycle, impacting our capability to predict floods and droughts around the world, and eventually impacting adaption and resilience of society to global change. In this presentation, I will focus on computational approaches to understand and predict processes in the water cycle from small to large scales.

Julian Klaus.jpg
© Julian Klaus

KrawitzPeter.png
© Peter Krawitz

Prof. Dr. Peter Krawitz

Why does Clinical Bioinformatics need Marvin?

Institute for Genomic Statistics and Bioinformatics (IGSB), University Hospital Bonn

Member of TRA Modelling

Abstract

The amount of genetic sequencing data in research and healthcare is growing faster than processing power and storage space. This means that intelligent algorithms for sequence assignment, assembly, and variant detection are crucial. Once these first steps of clinical bioinformatics are done, the data must also be interpreted in the context of the patient's phenotype. Again, an increasing amount of medical images need to be analyzed. To solve these challenges, we need GPU clusters and experts who can handle them.


Prof. Dr. Thomas Luu

HPC and Physics:  Strange Bedfellows or the Perfect Couple? 

Institute for Advanced Simulation 4, Forschungszentrum Jülich GmbH & HISKP, University of Bonn

Abstract

I discuss the general role of HPC in physics, emphasizing how HPC has become an essential tool in performing non-perturbative, strongly-correlated physical systems.  I highlight certain successful examples and discuss various physical problems that can (hopefully) be addressed with future HPC resources.  Finally, I point out how physics in turn benefits HPC, thus providing a means for "closing the loop" and cementing the marriage of HPC and Physics.

Thomas_Luu.png
© Thomas Luu

Mutzel_Petra.jpg
© Petra Mutzel

Prof. Dr. Petra Mutzel

I. Quantum Annealing versus Digital Computing & II. News from the HPC/A-Lab

Institute for Computer Science and HPC/A-Lab, University of Bonn

Member of TRA Modelling

Abstract

Quantum annealing is getting increasing attention in combinatorial optimization. The quantum processing unit of the D-Wave 2000Q is constructed to approximately solve Ising models on so-called Chimera graphs. Ising models are equivalent to quadratic unconstrained binary optimization (QUBO) problems and to maximum cut problems on the associated graphs. 

A conventional digital computer front end is used to transform a given combinatorial optimization problem to one ore more instances of the Ising problem that are fed to the annealing hardware for approximate solutions. These solutions are finally transformed to a solution of the original problem. The transformation steps are problem dependent, and in general quite involved. As an example, we will point out the problems in solving combinatorial optimization problems such as the Traveling Salesman Problem by quantum annealers. 

In the pursuit of a fair comparison, we neglect the digital front end phases and concentrate only on the solution of the Ising instances given to the annealing unit. It has been a matter of discussion in the literature how well the D-Wave hardware performs at its native task. In our experiments we examine how reliably the D-Wave computer can deliver true optimum solutions of the Ising problem. We also compare the annealer's performance in terms of solution time and solution quality with the performance of a heuristic by Alex Selby designed for digital computers and present some surprising results. (This is joint work with Michael Jünger, Elisabeth Lobe, Gerhard Reinelt, Franz Rendl, Giovanni Rinaldi, and Tobias Stollenwerk).

At the end I will briefly present some news from our HPC/A-Lab.


Jan Steiner

What Everyone Should Know about Marvin

HRZ HPC Team

Abstract

An overview of your responsibilities as a cluster user and some tips to use Marvin efficiently and effectively, from the perspective of the Marvin support team.

Jan Steiner
© Jan Steiner

Suarez.jpg
© Estela Suarez

Prof. Dr. Estela Suarez

Modular Supercomputing: heterogeneous hardware for diverse applications

Computer Science department, University of Bonn, and Jülich Supercomputing Centre, Forschungszentrum Jülich GmbH

Member of TRA Modelling

Abstract

The Modular Supercomputing Architecture combines various hardware components like CPUs, GPUs, accelerators, and emerging technologies into specialized compute modules. These modules are linked through a fast network and share a common software stack, creating a versatile system where users can adjust hardware resources by selecting the appropriate nodes per module. This setup enables efficient execution of complex multi-physics and multi-scale simulations across modules and allows users to tailor their hardware resources by selecting the appropriate nodes per module. MSA optimizes system workload distribution by assigning tasks to the most suitable hardware, following each application part's inherent parallelism.


More

Marvin – State of the Art Tier 3 Cluster

Available from late 2023. See overview of specs and technical details. Find out more...

HRZ: University IT and Data Center

Its task is the operation of the University's IT services for research, teaching and studies as well as making its know-how as a competence center in the field of information technology (IT) available to the members of the university. Find out more...

Research and Technology Center for Detector Physics (FTD)

At the FTD, scientists from the Institute of Physics (PI) and the Helmholtz Institute for Radiation and Nuclear Physics (HISKP) of the University of Bonn work on the latest detector technologies for the detection of radiation and particles.

Institute for Numerical Simulation (INS)

The INS is devoted to the design and implementation of computational tools for scientific applications in the Natural and Engineering Sciences, Geosciences and Geodesy, Medicine and Life Sciences, and Economy and Finance.

The INS is the place where Marvin is hosted and extensive reconstruction work had to take place. All future users of Marvin are grateful for this commitment!

TRA Modelling 

How do complex systems actually work? Interaction of mathematical modelling, classical observational methods, data simulation and creative spirit.

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