e-Science and the Grid – for Research and Industry Tony Hey Director of UK e-Science Core Programme

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

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

RCUK e-Science Funding 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

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

Comb-e-Chem Project X-Ray e-Lab Analysis Properties Properties e-Lab Simulation Video Diffractometer Grid Middleware Structures Database

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

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

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

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

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

UK e-Science: Phase 2 Three major new activities: 1.Deploy National Grid Service and establish Grid Operation Support Centre 2.Fund Open Middleware Infrastructure Institute for testing, software engineering and repository for UK middleware 3.Set up Digital Curation Centre for R&D into long-term data preservation issues

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

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

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

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

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

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.’

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

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

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

T-Systems Burger Model Corporate Computing Information Glue Pervasive Computing

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

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

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