The UK e-Science Programme&

The National e-Science Centre

Malcolm AtkinsonDirector of NeSC

Universities of Edinburgh and Glasgow

Pilot Projects Meeting25th January 2002

Outline

Review e-ScienceWhat is it?Assumptions & Progress

UK e-Science Centres

NeSC

e-Science Institute

What is e-Science?

An acceleration of a trend?

A sea change in scientific method?

A new opportunity for science?And every other collaborative, information intensive activity

Accelerating Trend

More and More data must change methodsInstrument resolution doubling /12 months

Instrument and telemetry speeds increasing

Storage capacity doubling / 12 monthsNumber of data sources doubling / ?? monthsLaboratory automation capacity doubling / ??

More and More ComputationComputations available doubling / 18 monthsAnalyses and simulations increasing

Faster networks can change methodsRaw bandwidth doubling / 9 months

These Integrate and EnableMore interplay between computation and dataMore collaboration: scientists, medics, engineers, …More international collaboration

Sea ChangeIn Silico discovery + systematic exploration

Exploration of data and models predicts resultsVerified by directed experiments Combinatorial chemistry Gene function Protein Structure, …

Shared Resources need “intelligent” labs Researcher’s Workbench Laboratory team Multi-national network of labs + modellers Public instruments, repositories and simulations

Floods of (public) data must integrate dataMore than can be used by human inspectionGene sequence doubling / 9 months Searches required doubles / 4.5 months

Discovery by correlating diverse data

But …

Skilled scientists and computer scientistsRoughly static in numberDiminishing in available attention / taskDistributed systems remain hard

E.g. component failures and latency are always with us E.g. operational information goes stale

Integration remains hardImportant data in documents

More subjects experiencing the Data delugeAnalysis avalancheSimulation bonanzaCollaboration growth

Therefore find general solutionsMake technology easier to use

The New Behaviour

Shared InfrastructureIntrinsically distributedIntrinsically multi-organisationalMultiple uses interwoven

Shared SoftwareA new attempt at making distributed computing economic, dependable and accessibleScientists from all disciplines share in its design and use

Shared & Automated System AdministrationReplicated farms of replicated systemsAutonomic management

Immediate benefitFaster transfer of ideas and techniques between disciplinesAmortisation of development, operation and education

Not Just Scientists

EngineersThey already travel the same path

Finance, economy, politics, …We can expect best use of data and models to guide the decisions that affect our livese.g. home climate simulation may moderate greenhouse gas emissions

MedicineSee above

Industry & CommerceSee above

The UK Office of Science & TechnologyHas these extensions firmly in mindSo have twelve computing & S/W companies

Signed agreements with GGF

Several Assumptions

The Technology is ReadyNot true — its emerging

Building middleware, Advancing Standards, Developing Dependability

The Scientists / Engineers, … want thisNot universally true

Pilot projects and Demonstrators The e-Science Institute

One Size Fits AllNot true

Addressed by a minimum set of composable virtual services But starting with Globus

It’s only for “big” scienceNo — “small” science collaborates too!

We know how we will use grid servicesNo — Disruptive technology

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

Cambridge

Newcastle

Edinburgh

Oxford

Glasgow

Manchester

Cardiff

Southampton

London

BelfastDL

RALHinxton

UK Grid Network

From Tony Hey 27 July 01

NeSC’s context

NeSC

eSIGSC

Application Pilots IRCs …e-Science Centrese-Scientists, Grid users, Grid services & Grid Developers

UK Core Directorate Global Grid Forum …

CS Research

TAGDBTF ATF

GNT

Coordination

NeSC’s Roles

Stimulation of Grid & e-Science ActivityUsers, developers, researchersEducation, Training, SupportInternational Research & Standards

Coordination of Grid & e-Science ActivityRegional Centres, Task Forces, Pilots & IRCsTechnical and Managerial ForaSupport for training, travel, participation

Developing a High-Profile e-Science Institute

MeetingsVisiting ResearchersInternational Collaboration

Regional SupportPortfolio of Industrial Research Projects

NeSC — The TeamDirector

Malcolm Atkinson (Universities of Glasgow & Edinburgh)

Deputy Director Arthur Trew (Director EPCC)

Commercial Director Mark Parsons (EPCC)

Regional DirectorStuart Anderson (Edinburgh Informatics)

Chairman Richard Kenway (Edinburgh Physics & Astronomy)

Initial Board MembersMuffy Calder (Glasgow Computing Science)Tony Doyle (Glasgow Physics & Astronomy)

Centre ManagerAnna Kenway

Conference ManagerAndrea Grainger

e-Science Institute

Highlights so FarAugust & September

3 workshops week 1: DF1, GUM1 & DBAG1 HEC2 and the Grid preGGF3 & DF2

October Steve Tuecke Globus tutorial (oversubscribed) 4-day workshop Getting Going with Globus (G3)

– Reports on DataGrid & GridPP experience Biologist Grid Users’ Meeting 1 (BiGUM1)

November GridPP Configuration management

December Architecture & Strategy with Ian Foster et al. AstroGrid DIRC meeting

625 participants, 107 organisations, 20+ countries

eSI Highlights cont.2002

January Regional meeting Steve Tuecke et al. 4 day Globus Developers’ Workshop Pilot project workshop Grid Portals & Problem Solving Environments Workshop

February — closed for renovationMarch

Blue Gene: Protein folding Workshop 14th to 17th IBM sponsor

April XML, XML Schema, Web Services Advanced Workshop Getting OGSA Going Workshop Managing Grid Software Projects Advanced Workshop Digital Libraries, Librarians, Museums and the Grid

May 4-day Advanced Grid & Globus Tutorial (probable) Mind and Brain Workshop

eSI Highlights cont.2002

January Regional meeting Steve Tuecke et al. 4 day Globus Developers’ Workshop Pilot project workshop Grid Portals & Problem Solving Environments Workshop

February — closed for renovationMarch

Blue Gene: Protein folding Workshop 14th to 17th IBM sponsor

April XML, XML Schema, Web Services Advanced Workshop Getting OGSA Going Workshop Managing Grid Software Projects Advanced Workshop Digital Libraries, Librarians, Museums and the Grid

May 4-day Advanced Grid & Globus Tutorial (probable) Mind and Brain Workshop

Advanced Schema design & use, supporting toolsManaging large volumes of XML & … toolsWeb Services: WSDL, WSIL, WSFL, …Web Service EngineeringWeb Service Infrastructure & Tools

eSI Highlights cont.2002

January Regional meeting Steve Tuecke et al. 4 day Globus Developers’ Workshop Pilot project workshop Grid Portals & Problem Solving Environments Workshop

February — closed for renovationMarch

Blue Gene: Protein folding Workshop 14th to 17th IBM sponsor

April XML, XML Schema, Web Services Advanced Workshop Getting OGSA Going Workshop Managing Grid Software Projects Advanced Workshop Digital Libraries, Librarians, Museums and the Grid

May 4-day Advanced Grid & Globus Tutorial (probable) Mind and Brain Workshop

Advanced Schema design & use, supporting toolsManaging large volumes of XML & … toolsWeb Services: WSDL, WSIL, WSFL, …Web Service EngineeringWeb Service Infrastructure & Tools

Self-Education & External AdviceUnderstanding & Reviewing OGSAReinforcing OGSA Explorers’ ClubANL participation

eSI Highlights cont.2002

January Regional meeting Steve Tuecke et al. 4 day Globus Developers’ Workshop Pilot project workshop Grid Portals & Problem Solving Environments Workshop

February — closed for renovationMarch

Blue Gene: Protein folding Workshop 14th to 17th IBM sponsor

April XML, XML Schema, Web Services Advanced Workshop Getting OGSA Going Workshop Managing Grid Software Projects Advanced Workshop Digital Libraries, Librarians, Museums and the Grid

May 4-day Advanced Grid & Globus Tutorial (probable) Mind and Brain Workshop

Advanced Schema design & use, supporting toolsManaging large volumes of XML & … toolsWeb Services: WSDL, WSIL, WSFL, …Web Service EngineeringWeb Service Infrastructure & Tools

Self-Education & External AdviceUnderstanding & Reviewing OGSAReinforcing OGSA Explorers’ ClubANL participation

Expert Industrial AdviceBest PracticeTool setsGrid SE Club

eSI continued

21st to 26th July 2002GGF5 & HPDC 11 EICC

August Research Festival

14th to 16th April 2003 Dependability

eSI continued

21st to 26th July 2002GGF5 & HPDC 11 EICC

August Research Festival

14th to 16th April 2003 Dependability

Submit Papers

Be There

Suggestions Please

e-Science InstituteWelcomes suggestions and organisersAny topic related to e-Science

How your subject may use e-ScienceHow your technology may benefit e-Science

Any formatTutorial, advanced tutorial, workshop, scientific meeting

We can give travel, organisation, accommodation supportThis building renovated!

Mail director@nesc.ac.uk

Research Visitors

We will welcome and supportActive e-Science Researchers

Suggestions PleasePeople, Topics & Groups

Applications via web sitewww.nesc.ac.uk

Grid Net

Support for those engaged in Grid development

International working groupsSustained commitment

Travel, Meeting costs, …Application process via web sitewww.nesc.ac.u k

Ad hoc arrangements for GGF4Via the web site

Where to Concentrate

International & Industrial CollaborationIdeas, experiments, software, standards

Integrating Data across the GridData growth demands new methodsData ownership expects respect & securityData is hard to scan — indexing & queryData is hard to move — query & move codeHuman attention is scarce but essential

Machine-assisted annotation, provenance, archiving Machine-assisted data mining Machine-assisted ontology construction & integration

Human-factors must drive designs

Dynamic, Dependable and Virtual FabricImproved Programming Models

For more Information

Ask me

www.nesc.ac.uk

director@nesc.ac.uk

Thank you for your attentionor for arriving early for the next talk