1st SimLab Porting Workshop 2010
Workshop, 9 - 11 June 2010, Jülich Supercomputing Centre
The Simulation Laboratories (SimLab) at JSC are research and support groups with expertise in advanced simulation techniques needed for tackling computational intensive scientific challenges. Currently the following scientific areas are represented at JSC: Biology, Molecular Systems, Climate, and Plasma Physics. One of their main tasks is to actively engage with national and European scientific groups, helping them to harness the world-class supercomputer facilities available at JSC.
The aim of this introductory workshop is to support users in the usage of JSC's high performance computing (HPC) facilities. Advanced porting techniques for both supercomputers JUROPA (Intel Nehalem cluster) and JUGENE (IBM Blue Gene/P) at JSC will be presented. Further focus will be on the special needs related to HPC techniques of the SimLabs: Biology, Climate, Molecular Systems, and Plasma Physics. Computational methods as well as programming techniques are covered by the selected talks and intensive hands-on tutorials during the first two days. Access to both machines will be provided during the workshop. The last third day, each SimLab will arrange discussion groups to consider future SimLab activities, like support actions and proposals, community oriented development and workshops.
Topics
The agenda covers the following topics
- introduction to SimLabs and HPC systems at JSC
hands-on tutorials for optimal porting on JUROPA and JUGENE, including
- torus network
- simdization
- parallel IO
- HPC tools (scalasca, vtunes, ihpct, totalview, unicore)
lectures on computational methods from the SimLab fields, including
- Parallel Computational Chemistry: ab-initio Methods
- Parallel Particle Methods in Plasma Physics
- Fast Coulomb Solver
- Inverse Methods in Atmospheric Sounding
- Simulating Protein Structure Formation using Monte Carlo
- talks on current state-of-the-art HPC methods
- discussion sessions on future SimLab activities
Application
Please apply for participation by sending an email to simlab@fz-juelich.de covering
- your institute and current position
- your scientific fields of interest
- your HPC experience
Registrations are only considered before 20 May 2010, and due to available space, the maximal number of participants is limited.
Contact
For any questions concerning the workshop please send an e-mail to p.gibbon@fz-juelich.de or contact us directly
Priv.-Doz. Dr. Paul Gibbon
Institute for Advanced Simulation
Jülich Supercomputing Centre
Forschungszentrum Jülich GmbH
52425 Jülich
Germany
+49 (0) 2461 61 1499
+49 (0) 2461 61 6656
Agenda
Wednesday, 9 June 2010
| 09:00 - 09:15 | Welcome and Registration Paul Gibbon |
| 09:15 - 10:00 | Introduction to Simulation Laboratories Paul Gibbon |
| 10:00 - 10:45 | Introduction to JSC's HPC Facilities Lukas Arnold |
| 10:45 - 11:00 | Coffee Break |
| 11:00 - 11:30 | Simulating Protein Structure Formation using Monte Carlo Olav Zimmermann |
| 11:30 - 12:30 | Porting juropa I Jan Meinke, Sandipan Mohanty, Wolfgang Frings |
| 12:30 - 13:30 | Lunch Break |
| 13:30 - 17:30 | Porting juropa II Jan Meinke, Sandipan Mohanty, Wolfgang Frings |
Thursday, 10 June 2010
| 09:00 - 09:35 | Parallel Computational Chemistry: ab-initio Methods Thomas Müller |
| 09:35 - 10:10 | Inverse Methods in Atmospheric Sounding Lars Hoffmann |
| 10:10 - 10:45 | Fast Coulomb Solver Godehard Sutmann |
| 10:45 - 11:00 | Coffee Break |
| 11:00 - 11:35 | Parallel Particle Methods in Plasma Physics Paul Gibbon |
| 11:35 - 12:10 | SimLabs at KIT, meeting a Challenge Frank Schmitz |
| 12:10 - 13:15 | Lunch Break |
| 13:15 - 17:30 | Porting jugene Lukas Arnold |
Friday, 11 June 2010
| 09:00 - 10:00 | High Performance Supercomputing in Molecular Medicine Paolo Carloni |
| 10:00 - 10:45 | Electrostatic Effects in Ionic Liquids and Biomolecular Systems Maxim Fedorov |
| 10:45 - 11:00 | Coffee Break |
| 11:00 - 12:00 | SimLab Meetings |
| 12:00 - 12:30 | Goodby |
| 12:30 - 13:30 | Lunch |