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UK e-Science

National e-Science Centre

Open Day

Prof. Malcolm AtkinsonDirector

www.nesc.ac.uk

17th January 2003

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e-Science Leadership

Partnershipse-Science alliance: Edinburgh+Glasgow

Physics & Astronomy (2), EPCC, Informatics, Computing Science

Capability Computing & e-Science: Edinburgh + CCLRC

UK + EU: Research and Training Projects £70MGridPP, European Data Grid, AstroGrid, ENACTS, GRIDSTART, RealityGrid, Neuroinformatics Grid, …QCDOC + QCD GridHPC(x) (Edinburgh, IBM, CCLRC: 3.3TFlops)

Scottish Investment £6.7MScotGRID, SRIF, eDIKT, Scottish Centre for Genomic Technology and Informatics, …

NeSC set up, launched and running £8Me-Science Institute

Blue Gene Workshop (Protein Folding & Structure, IBM) GGF5 & HPDC11(900 people, largest GGF, largest HPDC)

BlueDwarf (IBM p690 server donated for Scientific DB Research)

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UK e-Science

e- Science and the Grid‘e- Science is about global collaboration in key areas of science, and the next generation of infrastructure that will enable it.’

‘e- Science will change the dynamic of the way science is undertaken.’

J ohn TaylorDirector General of Research Councils

Offi ce of Science and Technology

From presentation by Tony Hey

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What’s Changing

Collaboration is Growing

Data is Exploding

Interdependence

Theory

ExperimentComputing

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£80m Collaborative projects

E-ScienceSteering

Committee

DG Research Councils

Director

Director’s Management Role

Director’sAwareness and Co-ordination Role

Generic Challenges EPSRC (£15m), DTI (£15m)

Industrial Collaboration (£40m)

Academic Application SupportProgramme

Research Councils (£74m), DTI (£5m)

PPARC (£26m) BBSRC (£8m) MRC (£8m) NERC (£7m) ESRC (£3m) EPSRC (£17m) CLRC (£5m)

Grid TAG

UK e-Science Programme (1)2001 - 2003

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£80m Collaborative projects

E-ScienceSteering

Committee

DG Research Councils

Director

Director’s Management Role

Director’sAwareness and Co-ordination Role

Generic Challenges EPSRC (£15m), DTI (£15m)

Industrial Collaboration (£40m)

Academic Application SupportProgramme

Research Councils (£74m), DTI (£5m)

PPARC (£26m) BBSRC (£8m) MRC (£8m) NERC (£7m) ESRC (£3m) EPSRC (£17m) CLRC (£5m)

Grid TAG

UK e-Science Programme (2)2003 - 2005

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Cambridge

Newcastle

Edinburgh

Oxford

Glasgow

Manchester

Cardiff

Southampton

London

Belfast

Daresbury Lab

RALHinxton

NeSC in the UKNational

e-ScienceCentre HPC(x)

Directors’ ForumHelped build a

communityEngineering Task ForceGrid Support CentreArchitecture Task Force

UK Adoption of OGSAOGSA Grid MarketWorkflow Management

Database Task ForceOGSA-DAIGGF DAIS-WG

e-SI Programmetraining, coordination,community building, workshops, pioneering

GridNet

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NeSC Staff

Senior staff Prof. Malcolm Atkinson Director Dr Arthur Trew Deputy Director Dr Anna Kenway Centre Manager Ms Gill Maddy Event Manager Dr Dave Berry Research Manager Dr Richard Sinnott Technical Director

(Glasgow) Dr Mark Parsons Commercial Director Mr Stuart Anderson Regional Director

Research partnerships Dr Bob Mann Institute for Astronomy Dr Richard Baldock MRC, Human Genetics

Unit

Industrial partnerships Dr Andy Knox IBM Greenock Dr Dave Pearson Oracle

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NeSC Related ProjectsSHEFC

ScotGrid £0.9MeDIKT £2.3MSRIF £2.3M

WellcomeCardiovascular Functional Genomics £5.4

MRCNeuroinformatics Grid £1.5M(Biobank Scottish Spoke)

PPARCAstroGrid £5MGridPP £17M

EPSRCe-STORM £359KGridNet £595KDTA Neuroinf. £6M

IRCsEquatorAKTDIRCNanotechnology

EU IST FP5 ProjectsGridStart €1.5MEnacts €0.8MData Grid €10M

Centre ProjectsOGSA-DAI £1.3MSunGrid £400KGridWeaver £132K

Proposed Centre ProjectsBridges £372KOGSA-DAI II £277KGridWeaver 2 £400KPGPGrid £312KMS.NETGrid £112KFirstDIG £ 90K

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EU GridProjectsDataGrid (CERN, ..)EuroGrid (Unicore)DataTag (TTT…)Astrophysical Virtual ObservatoryGRIP (Globus/Unicore)GRIA (e-Business, …)GridLab (Cactus, …)CrossGrid EGSO (Solar Physics)GridStart

45 million Euros

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NeSC Internationallye-Science Institute

>1000 different participantsFrom >25 countries

Conferences organisedBlue geneOpening by Gordon BrownSun HPC ConsortiumApplications workshopGlobal Grid Forum 5HPDC 11

N+N MeetingsUSA, San Francisco, Aug 01China bioinf., e-SI, June ’02USA, London, Oct ’02China, Kunming, Jan ’03

VisitorsIan FosterSteve TueckeGreg RiccardiRoy WilliamsJim Gray (03)Alex Szalay (03)

North American visitsSDSC & ISI, Nov. 01SuperComputing 01Canarie 7, TorontoANL, Nov 01 (OGSA), GGF5 planningNPACI MeetingToronto, GGF4 (OGSA, DAIS & GGF5 planning)NCSA, Feb 02ANL, Feb 02ANL, Early Adopters, June 02Magic meeting, Sep. 02GGF6, ChicagoSuperComputing 02, BaltimoreGlobusWorld, San Diego, Jan. 03

Programme C’tteesGGF4GGF5HPDC11GGF7HPDC12

DB ChapterIn Edition 2 of Grid book

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A X-informatics Grid

Grid Plumbing & Security Infrastructure

Scheduling Accounting Authorisation

Monitoring Diagnosis Logging

X-informatics Application

Data & Compute Resources

Distributed

X-ologists

Data Access

Data Integration

Structured DataData ProvidersData Curators

X-informatics Common High-level InfrastructureData MiningSemantic Grid

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Database Growth

PDB protein structures

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More Computation

as computer performance improves, the range of applications increases

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20

30

40

50

60

70

80

90

100

0 1 2 3 4 5 6 7 8

year

Tfl

op

s c

ap

ab

ilit

y

whole earthclimate

organs

solar weather

materials design

cells

whole aircraft

drug designprotein structures

nanostructures

complex multiscale astroplasmas

eddy resolution

oceans

HPCx

£53M: 3 machines

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1a. Request to Registry for sources of data about “x”

1b. Registry responds with

Factory handle2a. Request to Factory for access to database

2b. Factory creates GridDataService to manage access

2c. Factory returns handle of GDS to client

3a. Client queries GDS with XPath, SQL, etc

3b. GDS interacts with database

3c. Results of query returned to client as XML

SOAP/HTTP

service creation

API interactions

Registry

Factory

Grid Data Service

Client

XML / Relational database

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OGSA-DAIRelease 1 Available

        http://www.ogsadai.org.uk

        http://www.ogsa-dai.org

        http://www.ogsa-dai.org.uk

        http://www.ogsadai.org

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Access Grid Nodes

Technology Developed by Rick Stevens’ group at Argonne National Laboratory

Access Grid will enable informal and formal group to group collaboration

Distributed lectures and seminarsVirtual meetingsComplex distributed grid demos

Uses MBONE and MultiCast Internet Technologies

Access Grid

From presentation by Tony Hey

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Wellcome Trust: Cardiovascular Functional Genomics

Glasgow Edinburgh

Leicester

Oxford

LondonNetherlands

Shared dataPublic curated

data

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LHC Computing Challenge

Tier2 Centre ~1 TIPS

Online System

Offline Farm~20 TIPS

CERN Computer Centre >20 TIPS

RAL Regional Centre

US Regional Centre

French Regional Centre

Italian Regional Centre

InstituteInstituteInstituteInstitute ~0.25TIPS

Workstations

~100 MBytes/sec

~100 MBytes/sec

100 - 1000 Mbits/sec

•One bunch crossing per 25 ns

•100 triggers per second

•Each event is ~1 Mbyte

Physicists work on analysis “channels”

Each institute has ~10 physicists working on one or more channels

Data for these channels should be cached by the institute server

Physics data cache

~PBytes/sec

~ Gbits/sec or Air Freight

Tier2 Centre ~1 TIPS

Tier2 Centre ~1 TIPS

~Gbits/sec

Tier Tier 00

Tier Tier 11

Tier Tier 33

Tier Tier 44

1 TIPS = 25,000 SpecInt95

PC (1999) = ~15 SpecInt95

ScotGRID++ ~1 TIPS

Tier Tier 22

1. CERN1. CERN

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global in-flight engine diagnostics

in-flight data

airline

maintenance centre

ground station

global networkeg SITA

internet, e-mail, pager

DS&S Engine Health Center

data centre

Distributed Aircraft Maintenance Environment: Universities of Leeds, Oxford, Sheffield &York

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Comparative Functional Genomics

Large amounts of dataHighly heterogeneous

Data typesData formscommunity

Highly complex and inter-relatedVolatile

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UCSF

UIUC

From Klaus Schulten, Center for Biomollecular Modeling and Bioinformatics, Urbana-Champaign

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