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Scientific Computing (2005)

Organizers: Wilfried Gansterer (U. Vienna) Martin Burger (Kepler U. Linz), Christoph Ueberhuber (TU Vienna), Johannes Grotendorst (FZ Juelich), Christian Schmeiser (WPI, TU Vienna)

Talks


Andrew Hanushevsky (Stanford Linear Accelerator Center, Stanford University) Seminarraum Rathaustrasse 19/9 Thu, 22. Sep 05, 14:00
Designing High Performance Data Access Systems
The BaBar experiment studies the B-physics at an asymmetric high luminosity electron positron collider (PEP-II) at the Stanford Linear Accelerator Center (SLAC). This collaboration counts more than 600 physicists, engineers and software specialists from 76 institutions in 10 countries. In B-physics experiments, the fraction of interesting physics events is very low requiring the collection of an enormous amount of data in order to have a significant statistical data sample. The database size is now about 300 TB stored in 500,000 files using the ROOT system for object persistence. In order to analyze a useful amount of data, the analysis algorithms are run in parallel utilizing hundreds of compute nodes. Each analysis job needs simultaneous access to about a dozen files. The resulting stress on the data access system is rather large, as a typical analysis run represents over 6,000 parallel data streams. The particular, though not unusual, data-compute requirements for BaBar led to the development of the xrootd (eXtended ROOT Daemon) data access system. The system is primarily designed to deliver low latency, device speed access to file data. Additional protocol elements allow servers to dynamically self-organize clusters so that high-performance can be maintained even under adverse conditions. This talk explains how the xrootd design impacts various aspects of performance, how that performance can be measured, and what ultimately limits the achievable performance from a practical stand-point. Our findings should apply to other similar systems.
  • Thematic program: Scientific Computing (2005)

Harrison, Robert Nordbergstrasse 15, WPI seminar room C 714 Wed, 9. Nov 05, 9:15
If you're not scared, you're not thinking big enough!
Note:   Workshop: Scientific Computing Challenges in Electronic Structure Computations
  • Thematic program: Scientific Computing (2005)

Goedecker, Stefan Nordbergstrasse 15, WPI seminar room, C 714 Wed, 9. Nov 05, 10:35
Electronic structure calculations, from linear scalling to global structure optimization
Note:   Workshop: Scientific Computing Challenges in Electronic Structure Computations
  • Thematic program: Scientific Computing (2005)

Kresse, Georg Nordbergstrasse 15, WPI seminar room C 714 Wed, 9. Nov 05, 11:40
Direct optimisation of the Kohn Sham functional: open problems, and possible solutions
Note:   Workshop: Scientific Computing Challenges in Electronic Structure Computations
  • Thematic program: Scientific Computing (2005)

Schwarz, Karlheinz Nordbergstrasse 15, WPI seminar room C 714 Wed, 9. Nov 05, 14:00
From crystal structure to properties using WIEN2k
Note:   Workshop: Scientific Computing Challenges in Electronic Structure Computations
  • Thematic program: Scientific Computing (2005)

Müller, Thomas Nordbergstrasse 15, WPI seminar room C 714 Wed, 9. Nov 05, 14:45
Important Algorithms in Quantum Chemistry
Note:   Workshop: Scientific Computing Challenges in Electronic Structure Computations
  • Thematic program: Scientific Computing (2005)

Gervasi, Osvaldo Nordbergstrasse 15, WPI seminar room C 714 Wed, 9. Nov 05, 15:30
E-Science approaches for Molecular Science
Note:   Workshop: Scientific Computing Challenges in Electronic Structure Computations
  • Thematic program: Scientific Computing (2005)

Kreuzer, Wolfgang Nordbergstrasse 15, WPI seminar room C 714 Wed, 9. Nov 05, 17:05
A data reduction scheme for large quantum chemistry problems
Note:   Workshop: Scientific Computing Challenges in Electronic Structure Computations
  • Thematic program: Scientific Computing (2005)

Achi Brandt (The Weizmann Institute of Science) Nordbergstrasse 15, C 206 / C 207 Thu, 9. Feb 06, 14:15
Multiscale Computation: From Multigrid Solvers to Systematic Upscaling
Note:   Conference on Scientific Computing - 2006
  • Thematic program: Scientific Computing (2005)

Ulrich Langer (University of Linz) Nordbergstrasse 15, C 206 / C 207 Thu, 9. Feb 06, 15:40
Computational Electromagnetics: From the Simulation to the Optimization
Note:   Conference on Scientific Computing - 2006
  • Thematic program: Scientific Computing (2005)

Axel Voigt (Center for Advanced European Studies and Research, Bonn) Nordbergstrasse 15, C 206 / C 207 Thu, 9. Feb 06, 16:35
Adaptive Finite Elements - From Software Concepts to Scientific Computing
Note:   Conference on Scientific Computing - 2006
  • Thematic program: Scientific Computing (2005)

David Keyes (Columbia University) Nordbergstrasse 15, C 206 / C 207 Fri, 10. Feb 06, 9:00
Scalable Solution Algorithms for Magnetically Confined Fusion Energy Simulations
Note:   Conference on Scientific Computing - 2006
  • Thematic program: Scientific Computing (2005)

Horst Simon (Lawrence Berkeley National Laboratory) Nordbergstrasse 15, C 206 / C 207 Fri, 10. Feb 06, 10:20
Progress in Supercomputing: The Top Three Breakthroughs of the Last 20 Years and the Top Three Challenges for the Next 20 Years
Note:   Conference on Scientific Computing - 2006
  • Thematic program: Scientific Computing (2005)

Christian Ringhofer (Arizona State University) Nordbergstrasse 15, C 206 / C 207 Fri, 10. Feb 06, 11:15
Entropy Based Discretization Methods for the Boltzmann Equations and Quantum Mechanical Corrections
Note:   Conference on Scientific Computing - 2006
  • Thematic program: Scientific Computing (2005)

Peter Deuflhard (Free University and Zuse Institute, Berlin) Nordbergstrasse 15, C 206 / C 207 Fri, 10. Feb 06, 14:00
Conformation Dynamics in Computational Drug Design
Note:   Conference on Scientific Computing - 2006
  • Thematic program: Scientific Computing (2005)

Graham Richards (University of Oxford) Nordbergstrasse 15, C 206 / C 207 Fri, 10. Feb 06, 15:25
Pattern Recognition and Grid Computing in Drug Discovery
Note:   Conference on Scientific Computing - 2006
  • Thematic program: Scientific Computing (2005)

Hans Peter Stimming (University of Vienna and WPI) Nordbergstrasse 15, C 206 / C 207 Fri, 10. Feb 06, 16:20
Numerical Studies of Time Dependent Nonlinear Schrödinger Equations
Note:   Conference on Scientific Computing - 2006
  • Thematic program: Scientific Computing (2005)

Christof Sparber (WPI) Nordbergstrasse 15, C 206 / C 207 Fri, 10. Feb 06, 16:45
Numerical Simulation of the Kadomtsev-Petviashvili Equation
Note:   Conference on Scientific Computing - 2006
  • Thematic program: Scientific Computing (2005)

Jack Dongarra (University of Tennessee and Oak Ridge National Laboratory) Nordbergstrasse 15, C 206 / C 207 Sat, 11. Feb 06, 9:00
An Overview of High Performance Computing and Computing the Electronic Properties of Nanostructure Architectures
Note:   Conference on Scientific Computing - 2006
  • Thematic program: Scientific Computing (2005)

Markus Püschel (Carnegie Mellon University) Nordbergstrasse 15, C 206 / C 207 Sat, 11. Feb 06, 10:20
Automatic Performance Tuning: Spiral and Other Efforts
Note:   Conference on Scientific Computing - 2006
  • Thematic program: Scientific Computing (2005)

Björn Enquist (University of Texas at Austin) Nordbergstrasse 15, C 206 / C 207 Sat, 11. Feb 06, 11:15
Heterogeneous Multi-Scale Methods
Note:   Conference on Scientific Computing - 2006
  • Thematic program: Scientific Computing (2005)

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