Forschungszentrum Jülich in der Helmholtz-Gemeinschaft Visit of NIC representatives in Czech Republic 30 September 2005 The John von Neumann Institute for Computing (NIC): A survey of its supercomputer facilities and its Europe-wide computational science activities Norbert Attig, Thomas Müller, and Achim Streit John von Neumann Institute for Computing (NIC) Research Centre Jülich Germany

Forschungszentrum Jülich in der Helmholtz-Gemeinschaft Visit of NIC representatives in Czech Republic 23 May 2005 Agenda The John von Neumann Institute for Computing Norbert Attig Research in Computational Science Thomas Müller Grid Computing at NICAchim Streit

Forschungszentrum Jülich in der Helmholtz-Gemeinschaft Education and Research in Germany Federal system Universities are under state rule (16 Länder) Research is under federal rule to a large extent (Bund)

Forschungszentrum Jülich in der Helmholtz-Gemeinschaft Important German Research Organisations I Organisations for the promotion of research DFGDeutsche Forschungsgemeinschaft (German Research Council) Focus: university research AvHAlexander-von-Humboldt-Stiftung (Foundation) Focus: scientists from other countries DAADDeutscher Akademischer Austauschdienst (German Academic Exchange Service) Focus: students and young scientists going abroad

Forschungszentrum Jülich in der Helmholtz-Gemeinschaft Important German Research Organisations II Research Organisations MPGMax-Planck-Gesellschaft (Society) Basic research in science and humanities HGFHelmholtz-Gemeinschaft (Association) Application-oriented research in science and technology; large-scale facilities FhGFraunhofer-Gesellschaft (Society) Research in technology WGLLeibniz-Gemeinschaft (Association) Various smaller research units

Forschungszentrum Jülich in der Helmholtz-Gemeinschaft Centres of the Helmholtz Association

Forschungszentrum Jülich in der Helmholtz-Gemeinschaft Helmholtz Research Fields Old:Centre-oriented research structure New: Programme-oriented research structure in the fields Health Earth and Environment Energy Structure of Matter Key Technologies Transport and Space

Forschungszentrum Jülich in der Helmholtz-Gemeinschaft Research Centre Jülich R & D on 2.2 square kilometres

Forschungszentrum Jülich in der Helmholtz-Gemeinschaft Research Centre Jülich R & D on 2.2 square kilometres

Forschungszentrum Jülich in der Helmholtz-Gemeinschaft Research Centre Jülich at a glance I CompanyFounded in: December 1956 Legal form: limited liability company PartnersFederal Republic of Germany (90%) Federal State of North Rhine-Westphalia (10%) Funding360 million Euro (2004 budget)

Forschungszentrum Jülich in der Helmholtz-Gemeinschaft Research Centre Jülich at a glance II Structure12 departments (36 institutes) 6 central departments, e.g. ZAM 2 project management organisations Jülich ModelHeads of institutes are professors at surrounding universities Staff (in 2004) 4300 including 1200 scientists 400 Ph.D. students 150 students 370 trainees Visiting scientistsmore than 700 p.a. from 50 countries

Forschungszentrum Jülich in der Helmholtz-Gemeinschaft Research Centre Jülich – Past, Present, Future Founded in 1956 as a civil nuclear research centre (“Kernforschungsanlage”, KFA) Nuclear energy research became more and more unpopular in Germany Strengthening the multidisciplinary research character of the centre in the nineties Budget constraints and competition between the HGF centres require to focus on a few “grand challenges”

Forschungszentrum Jülich in der Helmholtz-Gemeinschaft Research Centre Jülich Perspective Committee In 2004 an international Perspective Committee made an assessment of the future development of the Research Centre Major recommendations: Focus on “Condensed Matter Physics” as a basis for the investigation of functions and diseases of the human brain bio and nano electronics sustained energy supply networked environmental research and expand the supercomputing centre NIC into a European Centre for High-End Computing

Founded in 1987 by - Research Centre Jülich (FZJ), - German Electron Synchrotron (DESY), - National Research Center for Information Technology First and one of three German national High-Performance Computing Centres Restructured in 1998, now supported by FZJ and DESY A third partner – Society for Heavy Ion Research (GSI) – will join NIC soon John von Neumann Institute for Computing

National Centres Topical Centres State Centres Universities Supercomputing in Germany NIC Jülich HLRS Stuttgart LRZ Garching HLRN Berlin HLRN Hannover RZG Garching DWD Offenbach DKRZ Hamburg Wuppertal Aachen Dresden

National Supercomputing Centre John von Neumann Institute for Computing Mission Enable scientists to solve grand challenge problems by operating a large-scale facility (Helmholtz mission) Provision of supercomputing service  Europe-wide Support through research in computational science, mathematics and computer science, Grid computing Education and training

Centre for Parallel Computing DESY- Zeuthen Research Group Elementary Particle Physics Central Institute for Applied Mathematics (ZAM) John von Neumann Institute for Computing (NIC) Management Board of Directors: Board Member of FZJ Board Member of DESY Director of ZAM (FZJ) Scientific Council Competence Groups for Supercomputing Applications Central Institute for Applied Mathematics (ZAM) National Supercomputing Centre Production Supercomputer Systems, e.g. IBM-SC, BG/L Special Purpose Systems, e.g. APEmille, apeNEXT Research Group Computational Biophysics

Central Institute for Applied Mathematics (ZAM)

FPS AP/ Cray M Cray X-MP/ Cray Y-MP/ Cray X-MP/ Cray J90 3 Cray J90 4 GFlops Cray T90 22 Cray SV1ex 32 Cray T3E Intel Paragon 10 Suprenum 0.3 Cray T3E ZAMpano 20 IBM p690 Cluster 8920 GFlops massively parallel vector processor SMP cluster Cray T3E Intel Paragon 10 Suprenum 0.3 Cray T3E IBM Blue Gene 5600 Gflops Competence with Supercomputers early deployment of new technologies

1312 processors, 8.9 TeraFlops, 5.6 TeraByte memory, 50 TeraByte disks, 2.2 PetaByte tape robot jumpdoc.fz-juelich.de Supercomputers at NIC Jump: Juelich Multi-Processor IBM p690 Cluster Cray XD1, 72+ processors

Supercomputers at NIC Jubl: Juelich Blue Gene/L System (since July 2005) 2048 processors POWER PC440, 5.7 TeraFlops Low power and floor space requirements  highly scalable system! Limited memory per node

NIC Usage and Access ● Access – Academia & research – Industry – Proposals accepted from Germany and Europe ● Procedure – Weblink: – Scientific quality counts – Peer review by NIC Scientific Council – International referees – 1 year grants

NIC Usage by Research Fields Elementary Particle Many Particle Chemistry Other Life + Environment Soft Matter Materials Science

Origin of Users Chemistry Many Particle Physics Elementary Particle Physics Other National access

Origin of Users European access (Collaborations) Zagreb Rome Vienna Roskilde Coimbra Athens

Origin of Users European access (I3HP) DESY Edinburgh Glasgow Nicosia

Origin of Users European access (DEISA partners) CSC RZG IPP Garching SARA EPCC ECMWF IDRIS CINECA BSC LRZ HLRS

Origin of Users European access (NIC Initiative) Nicosia Warsaw Prague Bratislava Budapest Brno

NIC offers –its supercomputing facilities to research groups in the new EU member states to an extend of 50,000 proc. hours per month –options for scientific collaboration –training courses on supercomputing and parallel programming; participants from new EU member states will receive a grant for their travel and accommodation expenses next course: November 2005 NIC Initiative I

NIC expects –challenging applications –sound scientific proposals –parallel programs, using a substantial number of processors simultaneously –participation in joint initiatives towards a future European high-end computing infrastructure NIC Initiative II

ZAM Research Fields Computational science Complex atomistic modelling and simulation  Thomas Müller Lattice quantum field theory, QCD Simulation of quantum computers Applied mathematics Parallel algorithms: linear algebra, long-range interactions Stochastic methods, data mining Computer science Performance optimisation Visualisation, virtual reality Cluster computing Grid Computing  Achim Streit Easy and secure access to Grid resources and data High-speed data communication

helpdesk specialist advisor technical support, standby team methods and optimisation scientific partnership Support Pyramid

Education and Training International schools, workshops, conferences Summer student programme Seminars and courses Education of mathematical- technical assistants, cooperation with the Aachen University of Applied Sciences, about 100 students and trainees Chair of Computational Physics at Wuppertal University

remaining among the Top10 supercomputing centres worldwide with respect to - compute power - service - research becoming a leading site in a future European supercomputing network NIC works towards

Thank you for your attention!

International Development in HPC USA –Push extremely fast systems –  Performance boost –  Scientific leadership in nearly all fields of science EUROPE –Compete with USA, Japan ! –German science council:  Three European Supercomputer centres  NIC one of these ?! Lawrence Livermore: Blue Gene/L

European Perspective Compete with USA and Japan ! Statements of the German Science Council 11/2004: - The acquisition of supercomputers of the highest performance class is necessary to keep Europe [...] in the competition with Japan, the US and China. - The establishment of three European super- computers is necessary with an operating life of a computer of about five to six years. - The supercomputers available within Europe should be replaced cyclically in regular intervals. h

National Centres Topical Centres State Centres Universities Supercomputing in Germany NIC Jülich HLRS Stuttgart LRZ Garching HLRN Berlin HLRN Hannover RZG Garching DWD Offenbach DKRZ Hamburg Wuppertal Aachen Dresden

German Continual Investment Model - Science Council 1995, 2000, LRZ DWD RZG NIC HLRS LRZ DKRZ National Centres at the top of the Performance Pyramid

Topical Center AWI Multi- Gigabit Backend Network Global Parallel File System High-End System >50 TeraFlops Leadership System >250 TeraFlops Multi-PetaByte Tape Archive Topical Center DESY Topical Center GSI SL QCD SL Nanoscience + Molecular Materials SL Geosphere Future Helmholtz Capability Computing Complex (2007) SL Biology Topical Center NIC/FZJ Topical Center GridKa … … … SL Neuroscience Topical Center FZJ NIC Teams Support Capability Computing

Forschungszentrum Jülich in der Helmholtz-Gemeinschaft Helmholtz Association Characteristics of Large-scale Research Cooperation between disciplines (example medicine, environment) between institutions (example structure of matter) between nations (example fusion, neutron research) Concentration high-performance, versatile infrastructure Continuity of work continuous added value from basic know-how to economic applications Complexity of the mission relevant contributions to solving the challenges posed by society; long-term orientation, sustainable solutions