e-Science and the Grid – for Research and Industry

1. e-Science and the Grid – for Research and Industry Tony Hey Director of UK e-Science Core Programme Tony.Hey@epsrc.ac.uk

2. The e-Science Paradigm • The Integrative Biology Project involves the University of Oxford (and others) in the UK and the University of Auckland in New Zealand • Models of electrical behaviour of heart cells developed by Denis Noble’s team in Oxford • Mechanical models of beating heart developed by Peter Hunter’s group in Auckland • Researchers need to be able to easily build a secure ‘Virtual Organisation’ allowing access to each group’s resources • Will enable researchers to do different science

3. The Grid = A set of core middleware services running on top of high performance global networks

4. First Phase: 2001 –2004 Application Projects £74M All areas of science and engineering Core Programme £15M Research infrastructure £20M Collaborative industrial projects Second Phase: 2003 –2006 Application Projects £96M All areas of science and engineering Core Programme £16M Research Infrastructure £10M DTI Technology Fund RCUK e-Science Funding

5. UK Focus on Data and Security • Data Access and Integration • OGSA-DAI and DAIT project with IBM • Key grid data services • Workflow, Provenance • Distributed Query, Knowledge Management • Data Curation and Data Handling • Digital Curation Centre with JISC • Security, AA and all that • e-Science CA, GSI and WS-Security • Shibboleth/PERMIS deployment with InterNet2

6. Comb-e-Chem Project Video Simulation Properties Analysis StructuresDatabase Diffractometer X-Raye-Lab Propertiese-Lab Grid Middleware

7. myGrid Project • Imminent ‘deluge’ of data • Highly heterogeneous • Highly complex and inter-related • Convergence of data and literature archives

8. KEGG Inter Pro SMART Execute distributed annotation workflow SWISS PROT EMBL NCBI TIGR SNP GO Interactive Editor & Visualisation Discovery Net Project Nucleotide Annotation Workflows Download sequence from Reference Server Save to Distributed AnnotationServer • 1800 clicks • 500 Web access • 200 copy/paste • 3 weeks work in 1 workflow and few second execution

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

10. eDiaMoND Project Mammograms have different appearances, depending on image settings and acquisition systems Temporal mammography Computer Aided Detection Standard Mammo Format 3D View

11. The UK e-Science Experience:Phase 1 • All Research Council e-Science funds committed • e-Science pilots launched covering many areas of science, engineering and medicine • UK e-Science Core Programme • DTI £20M for collaborative industrial R&D • About 80 UK companies participating • Over £30M industrial contributions • Engineering, Pharmaceutical, Petrochemical • IT companies, Commerce, Media

12. UK e-Science: Phase 2 Three major new activities: • Deploy National Grid Service and establish Grid Operation Support Centre • Fund Open Middleware Infrastructure Institute for testing, software engineering and repository for UK middleware • Set up Digital Curation Centre for R&D into long-term data preservation issues

13. UK National Grid Service • From April 2004, NGS offers free access to two 128 processor compute nodes and two data nodes • Initial software is based on GT2 via VDT and LCG releases plus SRB and OGSA-DAI • Plan to move to Web Services based Grid middleware by April 2005 • Need for resource allocation mechanisms • Accounting, Performance Prediction

14. Web services Company A (J2EE) Company B (LAMP) The Web Services ‘Magic Bullet’ Company C (.Net)

15. Open Grid Services Architecture • Development of Web Services • OGSA/WSRF/… will provide Naming /Authorization / Security / Privacy/… • Projects should look at higher level services: Workflow, Transactions, DataMining, Knowledge Discovery… • Exploit Synergy: Commercial Internet with Grid Services

16. The UK Open Middleware Infrastructure Institute (OMII) • Repository for UK-developed Open Source ‘e-Science/Cyber-infrastructure’ Middleware • Documentation, specification,QA and standards • Fund work to bring ‘research project’ software up to ‘production strength’ • Fund Middleware projects for identified ‘gaps’ • Work with US NSF, EU Projects and others • Supported by major IT companies • Southampton selected as the OMII site

17. Digital Curation Centre (DCC) • In next 5 years e-Science projects will produce more scientific data than has been collected in the whole of human history • In 20 years can guarantee that the operating and spreadsheet program and the hardware used to store data will not exist • Research curation technologies and best practice • Need to liaise closely with individual research communities, data archives and libraries • Edinburgh with Glasgow, CLRC and UKOLN selected as site of DCC

18. MIT DSpace Vision ‘As more and more research and educational material is ‘born digital’, institutions and organizations are increasingly realizing the need for a stable place in which such material may be stored and accessed long-term. The Massachusetts Institute of Technology is a perfect example of an organization with this need. Much of the material produced by faculty, such as datasets, experimental results and rich media data as well as more conventional document-based material (e.g. articles and reports) is housed on an individual’s hard drive or department Web server. Such material is often lost forever as faculty and departments change over time.’

19. Three Industry Perspectives • An SAP view • BAESystems and Virtual Organisations • The Burger Model from T-Systems

20. Pick or Produce Issue Goods (Loading) Build HU Scan IDs Associate Items / Pallet / Tags Register ID of Pallet Post Goods Issue Create Event Handler Create HU Adv. Ship Notification AII Cust. Order Event Management Purchase Order Naturally Distributed Processing Buyer Vendor ERP System Delivery Delivery Delivery WM TRM

21. BAEsite R BAEsite G BAE site W Platform Cardiffe-Science BAE site F BAE site B HP Labs Identification Formation Manchester e-Science Southampton e-Science SingaporeiHPC Swansea U. Operation Dissolution BAEgrid – deployment of virtual organisations • VO needs better definition to support asymmetric operation. • VO lifecycle tools are required.

22. Pervasive Computing Information Glue Corporate Computing T-Systems Burger Model

23. The Commoditization of Middleware • Microsoft and IBM have agreed on the Web Services ‘open standard’ approach to interoperable low level distributed middleware • Providing high value-added services and products based on this secure, robust, common open standard middleware infrastructure will be central to the new economy. • The existence of ‘open source’ implementations of this ‘open standard’ middleware will enable new SMEs to compete with traditional packaged software vendors

24. Realizing Licklider’s Vision “Lick had this concept of the intergalactic network which he believed was everybody could use computers anywhere and get at data anywhere in the world. He didn’t envision the number of computers we have today by any means, but he had the same concept – all of the stuff linked together throughout the world, that you can use a remote computer, get data from a remote computer, or use lots of computers in your job. The vision was really Lick’s originally.” Larry Roberts – Principal Architect of the ARPANET

25. e-Government and the Grid ‘[The Grid] intends to make access to computing power, scientific data repositories and experimental facilities as easy as the Web makes access to information.’ Tony Blair, 2002