Hans-Joachim Bungartz. Compact Course Profiling & Performance Analysis of Parallel Applications KAUST, October 31 November 1, 2010
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1 Hans-Joachim Bungartz TUM, Department of Informatics, Chair of Scientific Computing Compact Course Profiling & Performance Analysis of Parallel Applications KAUST, October 31 November 1, 2010
2 Memorandum of Understanding (signed Munich, January 2008) Partnership Contract (signed Munich, December 2008) Initial project phase: Initial research projects: P1: Simulating CO 2 Sequestration P2: Virtual Arabia P3: CO 2 Fixation Various consulting activities Recruiting This course 2
3 Mathematical model Discretization & solver The most scientifically important and economically promising research frontiers in the 21 st century will be conquered by those most skilled with advanced computing technologies and computational science applications. PITAC Report 2005, USA Parallel implementation, HPC Validation Insight, Design Software Exploration 3
4 From parameter assumptions to identification & estimation From forward problems to inverse problems From qualitative descriptions to quantitative prediction From simulation to optimisation From one (spatial/temporal) scale to cascades of scales From data / images / numbers to information / insight Insight through computation & visualisation From sequential algorithm design... to massive parallelism From hacker s delight to complex workflows From one-way batch jobs to user interaction From simple tools for simple codes to 2x complex ones From heroic PhD codes to large teams / SW From single-physics problems to coupled scenarios From island fun to embedding & integration 4
5 Participating institutions: Involved disciplines: Mathematics, informatics, and the sciences Mechanical, electrical, and civil & environmental engineering People: 22 professors with their groups 44 additional researchers (assistants, Ph.D. Students) Projects: 5
6 Photo: Ernst A. Graf Leibniz Supercomputing Centre Partner in the Gauss Centre, member of PRACE New buildings for Petaflop system SuperMUC Munich Computational Sciences Centre New research group on HPC algorithmics and software W2 professorship HPC algorithmics and software Joint professorship of IPP & TUM: Numerics for plasma physics Education in CSE in Bavaria TUM: Second funding period of the elite programme BGCE MAC implemented as a fifth pillar in TUM s Graduate School IGSSE New projects in the Advanced Computing context DFG (SFB/TR 89), BMBF (HPC software calls 1 & 2) G8 Exascale Initiative (4 projects from MAC among 25 finalists world-wide) TUM-IAS: Focus Group on HPC DEISA and KONWIHR projects 6
7 Divisions: CLSE (Chemical and Life Sciences & Engineering) MCSE (Mathematical and Computer Science & Engineering) PSE (Physical Sciences & Engineering) Research Centres: Catalysis Clean Combustion Computational Bioscience Geometric Modeling & Scientific Visualization Advanced Membranes & Porous Materials Plant Stress Genomics Red Sea Solar and Photovoltaics Engineering Water Desalination & Reuse Core Labs and Facilities: Catalysis Advanced Computation & Visualization Facility Analytical Chemistry Biosciences & Bioengineering Coastal & Marine Imaging & Characterization Supercomputing 7
8 Consulting: Recruiting of 2 PostDocs (Jens Schneider, Thomas Amler) Projects: VR equipment for Virtual Arabia Several guest researchers (1-day to 1-week stays) Virtual Arabia Coding Days (one KAUST, scheduled for end of November) Education: KAUST Summer Internships: 2 current and 2 future KAUST TUM Project-related courses at Ferienakademie 2009 &
9 Consulting: Recruiting of 2 PostDocs (Jens Schneider, Thomas Amler) Projects: VR equipment for Virtual Arabia Several guest researchers (1-day to 1-week stays) Virtual Arabia Coding Days (one KAUST, scheduled for end of November) Education: KAUST Summer Internships: 2 current and 2 future KAUST TUM Project-related courses at Ferienakademie 2009 &
10 Consulting: Recruiting of 2 PostDocs (Jens Schneider, Thomas Amler) Projects: VR equipment for Virtual Arabia Several guest researchers (1-day to 1-week stays) Virtual Arabia Coding Days (one KAUST, scheduled for end of November) Education: KAUST Summer Internships: 2 current and 2 future KAUST TUM Arturo Mora (MEX), Mohammed El Sayed (EGY), Shouhing Du (CHN), Luiz Faria (PAN) Project-related courses at Ferienakademie 2009 &
11 Participation in KAUST events: WEP 2010: short course (Hoffmann, Witterstein) & lecture series (Bungartz, Weinzierl) Study group in industrial mathematics by OCCAM (Simon, Witterstein) Workshops with KAUST participation / relation: 2 MAC Summer Workshops (2009: Shih & Keyes; 2010: Hoteit & Alsayyed) 3 project-related workshops at IGSSE annual gatherings 2009 & 2010 ASIM SimTech Workshop TUM (Schneider) 11
12 Technische Universität München Participation in KAUST events: WEP 2010: short course (Hoffmann, Witterstein) & lecture series (Bungartz, Weinzierl) Study group in industrial mathematics by OCCAM (Simon, Witterstein) Workshops with KAUST participation / relation: 2 MAC Summer Workshops (2009: Shih & Keyes; 2010: Hoteit & Alsayyed) 3 project-related workshops at IGSSE annual gatherings 2009 & 2010 ASIM SimTech Workshop TUM (Schneider) H.-J. Bungartz: KAUST-TUM Special Partnership proudly presents: 12
13 Workshops with KAUST participation / relation: MAC Opening, July 2009 (Shih & Keyes) MAC Summer Workshop, July 2010 (Hoteit & Alsayyed) 3 project-related workshops at IGSSE annual gatherings 2009 & 2010 ASIM SimTech Workshop TUM (Schneider) 13
14 Workshops with KAUST participation / relation: MAC Opening, July 2009 (Shih & Keyes) MAC Summer Workshop, July 2010 (Hoteit & Alsayyed) 3 project-related workshops at IGSSE annual gatherings 2009 & 2010 ASIM SimTech Workshop TUM (Schneider) 14
15 Projects: Joint DEISA research project TUM LRZ KAUST TU Cluj-Napoca Joint HLRB2 proposal TUM KAUST pending Consulting: Performance Analysis KSL / Shaheen: Oct 31 Nov 1 (7 researchers from TUM, Jülich Supercomputing Centre, and Dresden Computing Centre) Outreach: Contributing to KAUST s booth at Supercomputing 2010 with a project poster 15
16 Pottmann, Rockwood, Schneider Schneider, VA Coding Days Keyes, Hoteit, Amler, Students Hoteit, Students Kaushik; SC 2011 WEP, general activities 16
17 Goals design and investigate novel approaches to modelling and simulation of CO 2 sequestration in particular in the context of enhanced oil recovery involve both fine-grain simulations & and homogenisation approaches Research Plan modelling of CO 2 sequestration including parameter identification and numerical simulations hysteretic aspects of CO 2 sequestration modelling PDE-constrained optimisation in CO 2 sequestration multi-phase flow simulations on the pore scale numerical algorithms and interfaces for CO 2 sequestration implementation and optimisation of CO 2 sequestration on HPC systems data pre- and postprocessing TUM (Coordination: T. Weinzierl) TUM: Modelling & Numerical Analysis (Brokate, Hoffmann), Optimisation (Ulbrich) TUM: Scientific Computing (Bungartz) TUM: Fluid Mechanics (Manhart) Leibniz Supercomputing Centre (Bode) 17
18 Goals develop a virtual environment for the interactive visual exploration of Saudi Arabia allow the user to look both above and underneath the earth surface in an integrated way provide a generic infrastructure for visual computing Research Plan hardware and system software platform efficient hierarchical interfaces of computation and visualisation innovative methods of VR and AR for a visual computing infrastructure GIS2BIM: multi-resolution models of constructions and built infrastructure realtime visual computing: core visualisation methodology data handling and data fusion TUM (Coordination: T. Weinzierl) TUM: Visualisation (Westermann), AR (Klinker), Scientific Computing (Bungartz) TUM: Computation in Engineering (Rank) Leibniz Supercomputing Centre (Bode) 18
19 Visual exploration of the Terashake 2.1 earthquake simulation. Particle tracing was used to classify interesting wave types as they typically occur in earthquakes. Particle traces show typical flow patterns caused by compressional, shear, and Love waves. [Single desktop system (Intel dual core/nvidia GPU); video directly captured from screen.] LES fluid simulation (128x128x256). Particle-based fluid visualisation. Dye injection and visualisation as in real wind tunnel. [Single desktop system (Intel dual core/nvidia GPU); video directly captured from screen.] 19
20 Issue: How to travel through the immersive environment to explore: The effects of a simulation (SP Bungartz) or Information access of a specific location (SP Rank). Two control mechanisms have been found and realized in a first prototype to tackle both mentioned aspects: An airplane-like maneuvering mechanism A car-like steering mechanism How to combine into a controlling device with an intuitive and integrated control for the user's position and orientation? Guidance of users to points of interest 20
21 21
22 Virtual Arabia Coding Days Where? KAUST campus When? December 4 6, 2010 Who? All Ph.D. candidates and research assistants involved in Virtual Arabia guests from KAUST very welcome! Host? Jens Schneider Why? Algorithmic developments ready for transfer to KAUST What? Implementation sessions ASIM Workshop, March 14 16, 2011, Munich KAUST participation IGSSE Annual Meeting, June 7 9, 2011, Raitenhaslach KAUST participation MAC Summer Workshop, July 2011, Munich KAUST participation KAUST Summer TUM, June August, 2011 KAUST participation 22
23 future EU supercomputers PRACE national supercomputers Gauss Centre (Jülich/JSC, Stuttgart/HLRS, München/LRZ) regional supercomputers Gauss Alliance (Aachen, Berlin, Dresden, Frankfurt, Hannover, Karslruhe, DWD, DKRZ, RZG, ) local compute servers work stations mobile devices 23
24 The virtual institute in a Partnership to develop advanced programming tools for complex simulation codes Goals Improve code quality Speed up development Activities Tool development and integration Training Support Academic workshops
25 Partners Technische Universität München Forschungszentrum Jülich Jülich Supercomputing Centre RWTH Aachen University Center for Computing and Communication Technical University of Dresden Center for Information Services and " High Performance Computing University of Tennessee Innovative Computing Laboratory
26 Partners cont. Technische Universität München German Research School for Simulation Sciences Laboratory for Parallel Programming Technische Universität München Chair for Computer Architecture University of Stuttgart High Performance Computing Centre Funded by
27 Partners cont. Technische Universität München Head, Planning, and Organisation: Hans-Joachim Bungartz, TUM Tobias Weinzierl, TUM Course Implementation Nicholas Allsopp, KAUST Michael Gerndt, TUM Matthias Weber, Technical University of Dresden Josef Weidendorfer, TUM Felix Wolf, German Research School for Simulation Sciences Brian Wylie, Jülich Supercomputing Centre
28 Partners cont. Technische Universität München
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