Forschungszentrum Jülichin der Helmholtz-Gemeinschaft

Visit of NIC representatives in Czech Republic30 September 2005

The John von Neumann Institute for Computing (NIC):

A survey of its supercomputer facilities and itsEurope-wide computational science activities

Norbert Attig, Thomas Müller, and Achim StreitJohn von Neumann Institute for Computing (NIC)

Research Centre JülichGermany

Forschungszentrum Jülichin der Helmholtz-Gemeinschaft

Visit of NIC representatives in Czech Republic23 May 2005

Agenda

The John von Neumann Institute for Computing Norbert Attig

Research in Computational Science Thomas Müller

Grid Computing at NIC Achim Streit

Forschungszentrum Jülichin 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 Jülichin der Helmholtz-Gemeinschaft

Important German Research Organisations I

Organisations for the promotion of research

DFG Deutsche Forschungsgemeinschaft

(German Research Council)

Focus: university research

AvH Alexander-von-Humboldt-Stiftung (Foundation)

Focus: scientists from other countries

DAAD Deutscher Akademischer Austauschdienst

(German Academic Exchange Service)

Focus: students and young scientists going abroad

Forschungszentrum Jülichin der Helmholtz-Gemeinschaft

Important German Research Organisations II

Research Organisations

MPG Max-Planck-Gesellschaft (Society)

Basic research in science and humanities

HGF Helmholtz-Gemeinschaft (Association)

Application-oriented research in science and

technology; large-scale facilities

FhG Fraunhofer-Gesellschaft (Society)

Research in technology

WGL Leibniz-Gemeinschaft (Association)

Various smaller research units

Forschungszentrum Jülichin der Helmholtz-Gemeinschaft

Centres of the Helmholtz Association

http://www.helmholtz.de

Forschungszentrum Jülichin 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 Jülichin der Helmholtz-Gemeinschaft

Research Centre Jülich R & D on 2.2 square kilometres

Forschungszentrum Jülichin der Helmholtz-Gemeinschaft

Research Centre Jülich R & D on 2.2 square kilometres

Forschungszentrum Jülichin der Helmholtz-Gemeinschaft

Research Centre Jülich at a glance I

Company Founded in: December 1956

Legal form: limited liability company

Partners Federal Republic of Germany (90%)

Federal State of North Rhine-Westphalia (10%)

Funding 360 million Euro (2004 budget)

Forschungszentrum Jülichin der Helmholtz-Gemeinschaft

Research Centre Jülich at a glance II

Structure 12 departments (36 institutes) 6 central departments, e.g. ZAM 2 project management organisations

Jülich Model Heads of institutes are professorsat surrounding universities

Staff (in 2004) 4300 including 1200 scientists 400 Ph.D. students 150 students 370 trainees

Visiting scientists more than 700 p.a. from 50 countries

Forschungszentrum Jülichin 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 unpopularin 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 Jülichin der Helmholtz-Gemeinschaft

Research Centre JülichPerspective 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 DESYA 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

NICJülich

HLRSStuttgart

LRZGarching

HLRNBerlin

HLRNHannover

RZGGarching

DWDOffenbach

DKRZHamburg

Wuppertal

AachenDresden

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 forParallel

ComputingDESY-

Zeuthen

Research GroupElementary Particle Physics

Central Institutefor

AppliedMathematics

(ZAM)

John von Neumann Institutefor Computing (NIC)

Management Boardof Directors:

Board Member of FZJBoard Member of DESYDirector of ZAM (FZJ)

ScientificCouncil

CompetenceGroups

forSupercomputing

Applications

Central Institutefor

AppliedMathematics

(ZAM)

National Supercomputing Centre

ProductionSupercomputerSystems, e.g.

IBM-SC, BG/L

Special PurposeSystems, e.g.

APEmille,apeNEXT

Research GroupComputational Biophysics

Central Institute for Applied Mathematics (ZAM)

Central Institute for Applied Mathematics (ZAM)

81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 00 01 02 03 04 05 06 07 08 09

FPS AP/190 0.02

Cray M94 1.3Cray X-MP/48 0.9

Cray Y-MP/832 2.6Cray X-MP/22 0.4

Cray J90 3Cray J90 4 GFlops

Cray T90 22Cray SV1ex 32

Cray T3E-600 307

Intel Paragon 10

Suprenum 0.3

Cray T3E-1200 614

ZAMpano 20

IBM p690 Cluster 8920 GFlops

massively parallel

vector processor

SMP cluster

Cray T3E-600 307

Intel Paragon 10

Suprenum 0.3

Cray T3E-1200 614

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 TeraFlopsLow 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: www.fz-juelich.de/nic

– Scientific quality counts

– Peer review by NIC Scientific Council

– International referees

– 1 year grants

NIC Usage by Research Fields

Elementary Particle

Many Particle

Chemistry

OtherLife + 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 www.fz-juelich.de/nic

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 www.fz-juelich.de/nic

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

NICJülich

HLRSStuttgart

LRZGarching

HLRNBerlin

HLRNHannover

RZGGarching

DWDOffenbach

DKRZHamburg

Wuppertal

AachenDresden

German Continual Investment Model- Science Council 1995, 2000, 2004 -

2008

2007

2006

2005

2004

2003

2002

2001

2000LRZ

DWD

RZG

NICHLRS

LRZ

DKRZ

National Centres at the top of the Performance Pyramid

Topical CenterAWI

Multi-Gigabit

Backend Network

Global ParallelFile System

High-End System>50 TeraFlops

Leadership System>250 TeraFlops

Multi-PetaByteTape Archive

Topical CenterDESY

Topical CenterGSI

SLQCD

SLNanoscience

+MolecularMaterials

SLGeosphere

Future Helmholtz Capability Computing Complex (2007)

SLBiology

Topical CenterNIC/FZJ

Topical CenterGridKa

……

…

SLNeuroscience

Topical CenterFZJ

NICTeams

SupportCapability Computing

Forschungszentrum Jülichin der Helmholtz-Gemeinschaft

Helmholtz AssociationCharacteristics of Large-scale Research

Cooperation between disciplines (example medicine, environment) between institutions (example structure of matter) between nations (example fusion, neutron research)

Concentrationhigh-performance, versatile infrastructure

Continuity of workcontinuous added value from basic know-how to economic applications

Complexity of the missionrelevant contributions to solving the challenges posed by society;long-term orientation, sustainable solutions