1. 1 UK e-Science National e-Science Centre Open Day Prof. Malcolm Atkinson Director www.nesc.ac.uk 17 th January 2003

2. 2 e-Science Leadership Partnerships e-Science alliance: Edinburgh+Glasgow  Physics & Astronomy (2), EPCC, Informatics, Computing Science Capability Computing & e-Science: Edinburgh + CCLRC UK + EU: Research and Training Projects £70M GridPP, European Data Grid, AstroGrid, ENACTS, GRIDSTART, RealityGrid, Neuroinformatics Grid, … QCDOC + QCD Grid HPC(x) (Edinburgh, IBM, CCLRC: 3.3TFlops) Scottish Investment £6.7M ScotGRID, SRIF, eDIKT, Scottish Centre for Genomic Technology and Informatics, … NeSC set up, launched and running £8M e-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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4. 4 UK e-Science From presentation by Tony Hey

5. 5 What’s Changing Collaboration is Growing Data is Exploding Interdependence Theory ExperimentComputing

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7. 7 £80m Collaborative projects E-Science Steering Committee DG Research Councils Director Director’s Management Role Director’s Awareness and Co-ordination Role Generic Challenges EPSRC (£15m), DTI (£15m) Industrial Collaboration (£40m) Academic Application Support Programme 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

8. 8 £80m Collaborative projects E-Science Steering Committee DG Research Councils Director Director’s Management Role Director’s Awareness and Co-ordination Role Generic Challenges EPSRC (£15m), DTI (£15m) Industrial Collaboration (£40m) Academic Application Support Programme 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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10. 10 Cambridge Newcastle Edinburgh Oxford Glasgow Manchester Cardiff Southampton London Belfast Daresbury Lab RAL Hinxton NeSC in the UK National e- Science Centre HPC(x) Directors’ Forum Helped build a community Engineering Task Force Grid Support Centre Architecture Task Force UK Adoption of OGSA OGSA Grid Market Workflow Management Database Task Force OGSA-DAI GGF DAIS-WG e-SI Programme training, coordination, community building, workshops, pioneering GridNet

11. 11 NeSC Staff Senior staff  Prof. Malcolm AtkinsonDirector  Dr Arthur Trew Deputy Director  Dr Anna KenwayCentre Manager  Ms Gill MaddyEvent Manager  Dr Dave BerryResearch Manager  Dr Richard SinnottTechnical Director (Glasgow)  Dr Mark ParsonsCommercial Director  Mr Stuart AndersonRegional Director Research partnerships  Dr Bob MannInstitute for Astronomy  Dr Richard BaldockMRC, Human Genetics Unit Industrial partnerships  Dr Andy KnoxIBM Greenock  Dr Dave PearsonOracle

12. 12 NeSC Related Projects SHEFC ScotGrid£0.9M eDIKT£2.3M SRIF£2.3M Wellcome Cardiovascular Functional Genomics£5.4 MRC Neuroinformatics Grid £1.5M (Biobank Scottish Spoke) PPARC AstroGrid£5M GridPP£17M EPSRC e-STORM£359K GridNet£595K DTA Neuroinf.£6M IRCs Equator AKT DIRC Nanotechnology EU IST FP5 Projects GridStart€1.5M Enacts€0.8M Data Grid€10M Centre Projects OGSA-DAI£1.3M SunGrid£400K GridWeaver£132K Proposed Centre Projects Bridges£372K OGSA-DAI II£277K GridWeaver 2£400K PGPGrid£312K MS.NETGrid£112K FirstDIG£ 90K

13. 13 EU GridProjects DataGrid (CERN,..) EuroGrid (Unicore) DataTag (TTT…) Astrophysical Virtual Observatory GRIP (Globus/Unicore) GRIA (e-Business, …) GridLab (Cactus, …) CrossGrid EGSO (Solar Physics) GridStart 45 million Euros

14. 14 NeSC Internationally e-Science Institute >1000 different participants From >25 countries Conferences organised Blue gene Opening by Gordon Brown Sun HPC Consortium Applications workshop Global Grid Forum 5 HPDC 11 N+N Meetings USA, San Francisco, Aug 01 China bioinf., e-SI, June ’02 USA, London, Oct ’02 China, Kunming, Jan ’03 Visitors Ian Foster Steve Tuecke Greg Riccardi Roy Williams Jim Gray (03) Alex Szalay (03) North American visits SDSC & ISI, Nov. 01 SuperComputing 01 Canarie 7, Toronto ANL, Nov 01 (OGSA), GGF5 planning NPACI Meeting Toronto, GGF4 (OGSA, DAIS & GGF5 planning) NCSA, Feb 02 ANL, Feb 02 ANL, Early Adopters, June 02 Magic meeting, Sep. 02 GGF6, Chicago SuperComputing 02, Baltimore GlobusWorld, San Diego, Jan. 03 Programme C’ttees GGF4 GGF5 HPDC11 GGF7 HPDC12 DB Chapter In Edition 2 of Grid book

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16. 16 A X-informatics Grid Grid Plumbing & Security Infrastructure SchedulingAccountingAuthorisation MonitoringDiagnosisLogging X-informatics Application Data & Compute Resources Distributed X-ologists Data Access Data Integration Structured Data Data Providers Data Curators X-informatics Common High-level Infrastructure Data MiningSemantic Grid

17. 17 Database Growth PDB protein structures

18. 18 More Computation as computer performance improves, the range of applications increases whole earth climate organs solar weather materials design cells whole aircraft drug design protein structures nanostructures complex multiscale astroplasmas eddy resolution oceans HPCx £53M: 3 machines

19. 19 1a. Request to Registry for sources of data about “x” 1b. Registry responds with Factory handle 2a. 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 RegistryFactory Grid Data Service Client XML / Relationa l database

20. 20 OGSA-DAI Release 1 Available http://www.ogsadai.org.uk http://www.ogsa-dai.org http://www.ogsa-dai.org.uk http://www.ogsadai.org

21. 21 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 seminars Virtual meetings Complex distributed grid demos Uses MBONE and MultiCast Internet Technologies Access Grid From presentation by Tony Hey

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23. 23 Wellcome Trust: Cardiovascular Functional Genomics Glasgow Edinburgh Leicester Oxford London Netherlands Shared data Public curated data

24. 24 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 Institute Institute ~0.25TIPS Workstations ~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 ~Gbits/sec Tier 0 Tier 1 Tier 3 Tier 4 1 TIPS = 25,000 SpecInt95 PC (1999) = ~15 SpecInt95 ScotGRID++ ~1 TIPS Tier 2 1. CERN

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26. 26 global in-flight engine diagnostics in-flight data airline maintenance centre ground station global network eg 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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28. 28 Comparative Functional Genomics Large amounts of data Highly heterogeneous Data types Data forms community Highly complex and inter-related Volatile

29. 29 UCSF UIUC From Klaus Schulten, Center for Biomollecular Modeling and Bioinformatics, Urbana-Champaign

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