Tony Hey Director of UK e-Science Core Program Tony.Hey@epsrc.ac.uk

1. The UK e-Science Program and the Grid Tony Hey Director of UK e-Science Core Program Tony.Hey@epsrc.ac.uk

2. 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.’ John Taylor Director General of Research Councils Office of Science and Technology

3. UK Funding Lines 2001-2004 • E-Science Initiative $180M • Research Equipment $100M • Research Infrastructure $240M

4. UK e-Science Initiative • $180M Programme over 3 years • $130M is for Grid Applications in all areas of science and engineering • $50M ‘Core Program’ to encourage development of generic ‘industrial strength’ Grid middleware • Require $30M additional ‘matching’ funds from industry

5. Research Equipment Funding - National Teraflop/s Supercomputer 2002 – 3 Teraflop/s 2004 – 6 Teraflop/s 2006 – 12 Teraflop/s - Joint Research Equipment Initiative Modestly parallel systems University/Departmental Clusters

6. Research Infrastructure Funding • National Academic Network - SuperJANET4 plus MANs - ‘UKLight’ lambda connection • Research Support Infrastructure • ‘AAA’ Initiative • Requirements Analysis - Digital Curation Centre (?)

7. SuperJanet4, June 2002 20Gbps 10Gbps Scotland via Glasgow Scotland via Edinburgh 2.5Gbps 622Mbps WorldCom Glasgow WorldCom Edinburgh 155Mbps NNW NorMAN YHMAN WorldCom Manchester WorldCom Leeds Northern Ireland EMMAN MidMAN WorldCom Reading WorldCom London EastNet TVN External Links WorldCom Bristol WorldCom Portsmouth South Wales MAN LMN SWAN& BWEMAN Kentish MAN LeNSE

8. UK e-Science Projects • $130M for e-Science application ‘pilots’ - span all sciences and engineering • Particle Physics and Astronomy (PPARC) - $25M GridPP and $8M AstroGrid • Engineering and Physical Sciences (EPSRC) - funding 6 projects at around $5M each • Biology, Medical and Environmental Science - funding projects with total value of $35M

9. Steve Lloyd Tony Doyle John Gordon GridPP Presentation to PPARC Grid Steering Committee 26 July 2001

10. CERN Data Handling and Computation for Physics Analysis reconstruction event filter (selection & reconstruction) detector processed data event summary data analysis raw data batch physics analysis event reprocessing simulation analysis objects (extracted by physics topic) event simulation interactive physics analysis les.robertson@cern.ch

11. Moore’s law: • capacity growth with - • a fixed cpu count • or a fixed annual budget

12. CERN's Users in the World Europe: 267 institutes, 4603 usersElsewhere: 208 institutes, 1632 users

13. Powering the Virtual Universehttp://www.astrogrid.ac.uk(Edinburgh, Belfast, Cambridge, Leicester, London, Manchester, RAL) Multi-wavelength showing the jet in M87: from top to bottom – Chandra X-ray, HST optical, Gemini mid-IR, VLA radio. AstroGrid will provide advanced, Grid based, federation and data mining tools to facilitate better and faster scientific output. Picture credits: “NASA / Chandra X-ray Observatory / Herman Marshall (MIT)”, “NASA/HST/Eric Perlman (UMBC), “Gemini Observatory/OSCIR”, “VLA/NSF/Eric Perlman (UMBC)/Fang Zhou, Biretta (STScI)/F Owen (NRA)” p13 Printed: 07/01/2020

14. AstroGrid: a Typical Challenge Same sky, different wavelength • matching multi-λ survey data: Differences in angular resolution, s/n ratios, backgrounds, etc (Djorgovski et al, 2001, astro-ph/0108346) A rich and complex problem p14 Printed: 07/01/2020

15. The Comb-e-Chem Project • Goal is to integrate simulated and experimentaldata within a knowledge environment - Accumulate and model data using new combinatorial methods - Automate metadata annotation for provenance • Southampton, Bristol, Cambridge Crystallographic Data Centre, Pfizer, IBM

16. Comb-e-Chem Architecture Video Simulation Properties Analysis StructuresDatabase Diffractometer Globus X-Raye-Lab Propertiese-Lab

17. The myGrid Project • Goal is to develop ‘workbench’ to support: • Experimental process of data accumulation • Use of community information • Provide facilities for resource selection, data management and process enactment • Functional genomics, pattern database annotation • Manchester, EBI, Newcastle,Nottingham, Sheffield, Southampton, GSK, AstraZeneca, Merck, IBM, Sun, …

18. Functional Genomics Data • Imminent ‘deluge’ of data • Highly heterogeneous • Highly complex and inter-related • Convergence of data and literature archives

19. myGrid Generic Technologies • Database access from the Grid • Process enactment on the Grid • Personalisation services • Metadata services • Development of Agent Services Grid Services+Ontologies • Towards the ‘Semantic Grid’

20. The Discovery Net Project • Data issues : Calibration • Diversity of resource: normalisation • Diversity of quality : Cleaning • Information issues : Integration • Information structuring (XML/Schema) • Information abstraction • Knowledge issues : Assimilation • Validation &Reference : knowledge schema • Management : discovery process

21. Discovery Deployment Discovery Component Active Report Discovery Process Markup Language Batch processing Discovery Service

22. Distributed Aircraft Maintenance Environment Partners: Universities of York, Leeds, Oxford and Sheffield Rolls-Royce, Data Systems and Solutions

23. In flight data Global Network eg: SITA Ground Station Airline DS&S Engine Health Center Maintenance Centre Internet, e-mail, pager Data centre

24. University Partners Simon Cox, Andy Keane and Nigel Shadbolt University of Southampton Mike Giles University of Oxford Carole Goble University of Manchester BIndustrial Partners Rolls-Royce - Engineering Fluent - Computational Fluid Dynamics Microsoft - Software/ Web Services Intel - Hardware Compusys - Systems Integration Epistemics - Knowledge Technologies Condor - Grid Middleware The GEODISE Project http://www.geodise.org

25. Geodise-K Geodise will provide grid-based seamless access to an intelligent knowledge repository, a state-of-the-art collection of optimisation and search tools, industrial strength analysis codes, and distributed computing & data resources

26. UK Grid ‘Core Program’ • Network of e-Science Centres • UK e-Science Grid 2. Generic/Industrial Grid Middleware 3. CS/e-Health Grid ‘Grand Challenge’ 4. Support for e-Science Applications 5. Outreach/International Activities 6. Grid Network Issues

27. UK e-Science Grid Edinburgh Glasgow DL Newcastle Belfast Manchester Cambridge Oxford Hinxton RAL Cardiff London Southampton

28. Access Grid Access Grid at EuroPar 2001

29. Timescales for Exploitation? • IBM see ‘early adopters’ of Grid technology coming from pharmaceutical, engineering and petrochemical sectors • UK program confirms this picture (AstraZeneca, GSK, Merck, Pfizer, Roche, RR, BAESystems, Schlumberger) • IBM see Grid middleware being adopted by mainstream commerce and industry in 2003/2004 timeframe

30. ‘Grid Computing is one of the three next big things for Sun and our customers’ Ed Zander, COO Sun ‘The alignment of OGSA with XML Web services is important because it will make Internet-scale, distributed Grid Computing possible’ Robert Wahbe, General Manager of Web Services, Microsoft

31. Collaborative Industrial Grid Projects • Grid Application Projects have more than $15M industrial input - mostly major pharmaceutical and engineering companies • Around $24M allocated for collaborative industrial projects for middleware/tools - at present $8M allocated with matching industrial funding

32. E-Science Centre Projects Example Industrial Projects: • E-Science Portal (with Sun) • OSCAR-G (with Intel and Compusys) • Tele-Medicine (with Siemens, Cancer Trust and Regional Hospitals) • Molecular Informatics (with Unilever) • GRIDmist (with HP) • Grid Data Services (with IBM,Oracle)

33. Databases in the Grid Data Complexity Semantic Web Classical Web Classical Grid Computational Complexity

34. OGSA – Data Access and Integration Project - Key middleware area for UK Program - Develop high-quality data-centric middleware capability - Total Budget $5M (CP $2M) - Three Centres: Edinburgh, Manchester and Newcastle - Industrial partners: IBM US, IBM Hursley and Oracle UK.

35. e-Health‘Grand Challenge’ • Equator: Technological innovation in physical and digital life • AKT: Advanced Knowledge Technologies • DIRC: Dependability of Computer-Based Systems • MIAS: From Medical Images and Signals to Clinical Information

36. e-Health Grid Projects • Grid-Enabled Knowledge Services for Medical Informatics -Triple Assessment in Breast Cancer: Fusion of Clinical, Radiological and Cytological data • Grid-based Medical Devices for Everyday Health -Patient sensors, mobile wireless communication

37. E-Science Project Support • Grid Support Centre - User support for Grid middleware deployment - Operates Grid Certification Authority • Supported Grid Middleware - Initial Release: Globus 2.0, Condor, SRB - Maintain library of Open Source Grid m/w • UK e-Science Grid - Leading Engineering Task Force - Building persistent UK Grid

38. E-Science Project Support • Training Courses - Courses on Globus, Web Services, OGSA, … • National e-Science Institute in Edinburgh - Research SeminarProgram - Multidisciplinary workshops – Blue Gene, China N+N, Grid Performance Engineering, … • See www.nesc.ac.uk

39. International Involvement • ‘GridNet’ funding - supports participation in the Global Grid Forum • ‘Grid Fellowships’ in Geneva and US - call for both CERN and iVDGL fellows • Establishing links with major US Centres - San Diego Supercomputer Center and NCSA • Joint UK-NSF ‘N+N’ Meeting on e-Science - held in San Fransisco August 2001

40. Grid Network Team • Expert group to identify end-to-end network bottlenecks and other network issues - e.g. problems with multicast for Access Grid • Identify e-Science project requirements • Funding £0.5M traffic engineering/QoS project with PPARC, UKERNA and CISCO - investigating MPLS using SuperJanet network • Funding DataGrid extension project investigating bandwidth scheduling with PPARC

41. SuperJanet4, June 2002 20Gbps 10Gbps Scotland via Glasgow Scotland via Edinburgh 2.5Gbps 622Mbps WorldCom Glasgow WorldCom Edinburgh 155Mbps NNW NorMAN YHMAN WorldCom Manchester WorldCom Leeds Northern Ireland EMMAN MidMAN WorldCom Reading WorldCom London EastNet TVN External Links WorldCom Bristol WorldCom Portsmouth South Wales MAN LMN SWAN& BWEMAN Kentish MAN LeNSE

42. e-Science Demonstrators • Dynamic Brain Atlas • Biodiversity • Chemical Structures • Mouse Genes • Robotic Astronomy • Collaborative Visualisation • Climateprediction.com • Medical Imaging/VR

43. Research Challenges • Building a Future Infrastructure - Developing a Semantic Grid - Trusted Ubiquitous Systems - Rapid Customized Assembly of Services - Autonomic Computing • Putting the Infrastructure to work - Support for New Forms of Community - Socio-Economic Impact

44. Future Initiatives? • An All-Ireland Grid? - QUB E-Science Centre with SFI funding • Joint Project with NSF Middleware Initiative? - Grid and Internet2 activities • Joint JISC/EPSRC R&D Programme? - Semantic Grids/Autonomic Computing

45. UK Technical Reports • Globus and Associated Grid Middleware • Databases and the Grid • Towards the Semantic Grid • The UK e-Science Programme • Available from National e-Science Centre in Edinburgh www.nesc.ac.uk

46. Summary • UK Grid projects emphasize data federation as much as computation • Metadata and ontologies will be key to higher level Grid services • UK e-Science program unique in concentrating on middleware and exploitation of the Grid by industry

47. e-Science, e-Business and the Grid ‘e-Science will change the dynamic ofthe way science is undertaken.’ John Taylor ‘The Grid will change the future of e-Business as profoundly as Linux and the Web’ Tony Hey