The UK e-Science Programme & The National e-Science Centre Malcolm Atkinson

1. The UK e-Science Programme & The National e-Science Centre Malcolm Atkinson Director of NeSCUniversities of Edinburgh and GlasgowPilot Projects Meeting 25th January 2002

2. Outline • Review e-Science • What is it? • Assumptions & Progress • UK e-Science Centres • NeSC • e-Science Institute

3. 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

4. Accelerating Trend • More and More data  must change methods • Instrument resolution doubling /12 months • Instrument and telemetry speeds increasing • Storage capacity doubling / 12 months • Number of data sources doubling / ?? months • Laboratory automation capacity doubling / ?? • More and More Computation • Computations available doubling / 18 months • Analyses and simulations increasing • Faster networks  can change methods • Raw bandwidth doubling / 9 months • These Integrate and Enable • More interplay between computation and data • More collaboration: scientists, medics, engineers, … • More international collaboration

5. Sea Change • In Silico discovery + systematic exploration • Exploration of data and models predicts results • Verified 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 data • More than can be used by human inspection • Gene sequence doubling / 9 months  • Searches required doubles / 4.5 months • Discovery by correlating diverse data

6. But … • Skilled scientists and computer scientists • Roughly static in number • Diminishing in available attention / task • Distributed systems remain hard • E.g. component failures and latency are always with us • E.g. operational information goes stale • Integration remains hard • Important data in documents • More subjects experiencing the • Data deluge • Analysis avalanche • Simulation bonanza • Collaboration growth • Therefore find general solutions • Make technology easier to use

7. The New Behaviour • Shared Infrastructure • Intrinsically distributed • Intrinsically multi-organisational • Multiple uses interwoven • Shared Software • A new attempt at making distributed computing economic, dependable and accessible • Scientists from all disciplines share in its design and use • Shared & Automated System Administration • Replicated farms of replicated systems • Autonomic management • Immediate benefit • Faster transfer of ideas and techniques between disciplines • Amortisation of development, operation and education

8. Not Just Scientists • Engineers • They already travel the same path • Finance, economy, politics, … • We can expect best use of data and models to guide the decisions that affect our lives • e.g. home climate simulation may moderate greenhouse gas emissions • Medicine • See above • Industry & Commerce • See above • The UK Office of Science & Technology • Has these extensions firmly in mind • So have twelve computing & S/W companies • Signed agreements with GGF

9. Several Assumptions • The Technology is Ready • Not true — its emerging • Building middleware, Advancing Standards, Developing Dependability • The Scientists / Engineers, … want this • Not universally true • Pilot projects and Demonstrators • The e-Science Institute • One Size Fits All • Not true • Addressed by a minimum set of composable virtual services • But starting with Globus • It’s only for “big” science • No — “small” science collaborates too! • We know how we will use grid services • No — Disruptive technology

10. UK e-Science From presentation by Tony Hey

11. UK Grid Network Edinburgh Glasgow Newcastle Belfast Manchester DL Cambridge Oxford Hinxton RAL Cardiff London Southampton From Tony Hey 27 July 01

12. e-Science Centres Application Pilots IRCs … e-Scientists, Grid users, Grid services & Grid Developers NeSC GNT DBTF ATF TAG eSI CS Research GSC UK Core Directorate Global Grid Forum … NeSC’s context Coordination

13. NeSC’s Roles • Stimulation of Grid & e-Science Activity • Users, developers, researchers • Education, Training, Support • International Research & Standards • Coordination of Grid & e-Science Activity • Regional Centres, Task Forces, Pilots & IRCs • Technical and Managerial Fora • Support for training, travel, participation • Developing a High-Profile e-Science Institute • Meetings • Visiting Researchers • International Collaboration • Regional Support • Portfolio of Industrial Research Projects

14. NeSC — The Team • Director • Malcolm Atkinson (Universities of Glasgow & Edinburgh) • Deputy Director • Arthur Trew (Director EPCC) • Commercial Director • Mark Parsons (EPCC) • Regional Director • Stuart Anderson (Edinburgh Informatics) • Chairman • Richard Kenway (Edinburgh Physics & Astronomy) • Initial Board Members • Muffy Calder (Glasgow Computing Science) • Tony Doyle (Glasgow Physics & Astronomy) • Centre Manager • Anna Kenway • Conference Manager • Andrea Grainger

15. e-Science Institute • Highlights so Far • August & 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

16. 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 renovation • March • 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

17. Advanced Schema design & use, supporting tools Managing large volumes of XML & … tools Web Services: WSDL, WSIL, WSFL, … Web Service Engineering Web 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 renovation • March • 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

18. Advanced Schema design & use, supporting tools Managing large volumes of XML & … tools Web Services: WSDL, WSIL, WSFL, … Web Service Engineering Web Service Infrastructure & Tools Self-Education & External Advice Understanding & Reviewing OGSA Reinforcing OGSA Explorers’ Club ANL 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 renovation • March • 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

19. Advanced Schema design & use, supporting tools Managing large volumes of XML & … tools Web Services: WSDL, WSIL, WSFL, … Web Service Engineering Web Service Infrastructure & Tools Self-Education & External Advice Understanding & Reviewing OGSA Reinforcing OGSA Explorers’ Club ANL participation Expert Industrial Advice Best Practice Tool sets Grid SE Club 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 renovation • March • 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

20. eSI continued 21st to 26th July 2002GGF5 & HPDC 11 EICC • August Research Festival • 14th to 16thApril 2003 Dependability

21. Be There SubmitPapers eSI continued 21st to 26th July 2002GGF5 & HPDC 11 EICC • August Research Festival • 14th to 16thApril 2003 Dependability

22. Suggestions Please • e-Science Institute • Welcomes suggestions and organisers • Any topic related to e-Science • How your subject may use e-Science • How your technology may benefit e-Science • Any format • Tutorial, advanced tutorial, workshop, scientific meeting • We can give • travel, organisation, accommodation support • This building renovated! • Mail director@nesc.ac.uk

23. Research Visitors • We will welcome and support • Active e-Science Researchers • Suggestions Please • People, Topics & Groups • Applications via web site www.nesc.ac.uk

24. Grid Net • Support for those engaged in Grid development • International working groups • Sustained commitment • Travel, Meeting costs, … • Application process via web site www.nesc.ac.u k • Ad hoc arrangements for GGF4 • Via the web site

25. Where to Concentrate • International & Industrial Collaboration • Ideas, experiments, software, standards • Integrating Data across the Grid • Data growth demands new methods • Data ownership expects respect & security • Data is hard to scan — indexing & query • Data is hard to move — query & move code • Human 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 Fabric • Improved Programming Models

26. 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 