1. There are 6 Research Councils in total: EPSRC – Engineering and Physical Sciences Research Council NERC – Natural Environment Research Council PPARC – Particle Physics and Astronomy Research Council BBSRC – Biotechnology and Biological Science Research Council ESRC – Economic and Social Research Council MRC – Medical Research Council And: CCLRC – Council for the Central Laboratory of the Research Councils Funding Sources for Academic Research Nearly all academic research in the UK is funded by the government through Research Councils.

2. The UK e-Science Programme Kerstin Kleese van Dam (For Tony Hey Director of UK e-Science Core Programme Tony.Hey@epsrc.ac.uk)

3. 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

4. NASAs IPG Vision for the Information Power Grid is to promote a revolution in how NASA addresses large-scale science and engineering problems by providing persistent infrastructure for: –highly capable computing and data management services that, on-demand, will locate and co- schedule the multi-Center resources needed to address large-scale and/or widely distributed problems –the ancillary services that are needed to support the workflow management frameworks that coordinate the processes of distributed science and engineering problems

5. Lift Capabilities Drag Capabilities Responsiveness Deflection capabilities Responsiveness Thrust performance Reverse Thrust performance Responsiveness Fuel Consumption Braking performance Steering capabilities Traction Dampening capabilities Crew Capabilities - accuracy - perception - stamina - re-action times - SOPs Engine Models Airframe Models Wing Models Landing Gear Models Stabilizer Models Human Models Multi-disciplinary Simulations Whole system simulations are produced by coupling all of the sub-system simulations

6. IPG Baseline System ARC SDSC LaRC GSFC MSFC KSC JSC NCSA Boeing JPL NGIX EDC NREN CMU GRC 300 node Condor pool NTON-II/SuperNet MCAT/ SRB O2000 DMF MDS CA O2000 cluster O2000 MDS

7. Multi-disciplinary Simulations Virtual National Air Space VNAS GRC Engine Models LaRC Airframe Models Landing Gear Models ARC Wing Models Stabilizer Models Human Models FAA Ops Data Weather Data Airline Schedule Data Digital Flight Data Radar Tracks Terrain Data Surface Data 22,000 Commercial US Flights a day 50,000 Engine Runs 22,000 Airframe Impact Runs 132,000 Landing/ Take-off Gear Runs 48,000 Human Crew Runs 66,000 Stabilizer Runs 44,000 Wing Runs Simulation Drivers (Being pulled together under the NASA AvSP Aviation ExtraNet (AEN) Many aircraft, flight paths, airport operations, and the environment are combined to get a virtual national airspace National Air Space Simulation Environment

8. GRID Vision Computing resources Data Knowledge Instruments People Solution Complex problem GRID

9. The Grid as an Enabler for Virtual Organisations Ian Foster, Carl Kesselman and Steve Tueke The Grid is a software infrastructure that enables flexible, secure, coordinated resource sharing among dynamic collections of individuals, institutions and resources -includes computational systems and data storage resources and specialized facilities Enabling infrastructure for transient Virtual Organisations

10. US Grid Projects (1) NASA Information Power Grid DARPA CoABS Grid DOE Science Grid NSF National Virtual Observatory NSF GriPhyN DOE Particle Physics Data Grid NSF DTF TeraGrid DOE ASCI DISCOM Grid

11. US Grid Projects (2) DOE Earth Systems Grid DOE FusionGrid NEES Grid NIH BIRN NSF iVDGL NSF GEON NSF NEON …..

12. EU Grid Projects (1) DataGrid (CERN,..) EuroGrid (Unicore) Damien (Metacomputing) DataTag (TransAtlanticTestbed, …) Astrophysical Virtual Observatory GRIP (Globus/Unicore) GRIA (Industrial applications) GridLab (Cactus Toolkit,..) CrossGrid (Infrastructure Components) EGSO (Solar Physics)

13. EU Grid Projects (2) GridStart (Coordination, …) FLOWGRID (CFD VO) OPENMOL (Chemistry, Pharma,..) GRACE (Distributed Search, …) COG (Industrial ontolgies,..) MOSES (Knowledge Grid) BIOGRID (Biotechnology industry) GEMSS (e-Healthcare,..) SELENE (Metadata, P2P,..)

14. National Grid Projects (1) UK - e-Science Grid Netherlands – VLAM-G, DutchGrid Germany – UNICORE Grid, D-Grid France – Etoile Grid Italy – INFN Grid Eire – Grid-Ireland Scandinavia - NorduGrid Poland – PIONIER Grid Hungary – DemoGrid ….

15. National Grid Projects (2) Japan – JpGrid, ITBL South Korea – N*Grid Australia – Nimrod-G, …. Thailand Singapore AsiaPacific Grid ? Pragma? …

16. UK e-Science Initiative: First Phase £120M Programme over 3 years from April 2001 £75M is for Grid Applications in all areas of science and engineering £10M as first installment for UK HPC(X) £35M Core Program to encourage development of generic industrial strength Grid middleware Require £20M additional matching funds from industry

17. Collaborative projects Directors Management Role Directors Awareness and Co-ordination Role Generic Challenges EPsrc (£15M), DTI (£20M) Industrial Collaboration (£20M) Pilot Application Programme PPARC (£26M) BBsrc (£8M) MRC (£8M) NERC (£7M) Esrc (£3M) EPsrc (£17M) CLRC (£5M) Research Councils (£74M) UK e-Science Programme Technical Advisory Group

18. UK e-Science Management e-Science Steering Committee Research Councils e-Science Directors Relevant National/ International bodies: e.g. JISC, CERN e-Science Support Based at EPsrc and at DTI Core Programme Project Teams Technical Advisory Group Director e-Science Core Programme DGRC/CERCsCEO/EPsrc

19. Excerpt from e-Science CP Directors job objectives Develop effective collaborative Core Programme projects between the science base, industry and national funding agencies, and ensure the application and outcomes from the projects.

20. UK e-Science Projects £75M for e-Science Grid Application pilots - spanning all sciences and engineering Particle Physics and Astronomy (PPARC) - £17M GridPP and £5M AstroGrid Engineering and Physical Sciences (EPSRC) - funding 6 projects at around £3M each Biology, Medical and Environmental Science - funding projects with total value of £23M

21. UK Grid Projects: First Phase (1) Particle Physics and Astronomy (PPARC) GRIDPP ASTROGRID Engineering and Physical Sciences (EPsrc) Comb-e-Chem DiscoveryNet GEODISE myGrid RealityGrid

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

23. National Crystallographie Service Workflow Send sample material to NCS service Search materials database and predict properties using Grid computations Download full data on materials of interest Collaborate in e-Lab experiment and obtain structure

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

25. GEODISE Project

26. Computational science Molecular dynamics Mesoscale modelling High throughput experiments High performance visualization Computational steering Terascale parallel computing

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

28. Using Distributed Resources Scientific Information Scientific Discovery In Real Time Literature Databases Operational Data Images Instrument Data Discovery Net Project Real Time Integration Dynamic Application Integration Workflow Construction Interactive Visual Analysis

29. Nucleotide Annotation Workflows How It Works 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

30. UK Grid Projects: First Phase (2) Natural Environment Applications (NERC) Climateprediction.com Oceanographic Grid Molecular Environmental Grid NERC DataGrid (with CP) Biotechnology and Biological Sciences (BBsrc) Biomolecular Grid Proteome Annotation Pipeline High-Throughput Structural Biology Global Biodiversity

31. BioSim GRID Structure of the proposed biosimulation database 1 st Level Metadata – Describing the Simulation Data… 2 nd Level Metadata – Describing the Results of Generic Analyses… … distributed raw data York Nottingham Birmingham Oxford RAL Southampton London A biosimulation GRID for the UK

32. Integrating Different Levels of Simulation u An e-science challenge – non-trivial u NASA IPG as a possible paradigm u Need to integrate rigorously if to deliver accurate & hence biomedically useful results Noble (2002) Nature Rev. Mol. Cell.Biol. 3:460 Sansom et al. (2000) Trends Biochem. Sci. 25:368 molecular cellular organism

33. UK Grid Projects: First Phase (3) Medical Applications (MRC) Biology of Ageing (with BBsrc) Sequence and Structure Data Molecular Genetics Cancer Management (with PPARC) Clinical e-Science Framework Neuroinformatics Modeling Tools

34. CLEF - Clinical e-Science Framework Partners : AstraZeneca, GSK, BMJ Publishing Group CSW Informatics, iSoft plc, Sun Microsystems Limited UK National Health Service –NHS Information Authority Stakeholder Relations –Camden & Islington Health Authority –Central Manchester and Manchester Childrens' Health Authority –Royal Brompton and Harefield NHS Trust Universities of Cambridge, Manchester, Freiburg and University College London

35. High quality, integrated clinical information is key to: –clinical research –evidence-based health care –the clinical application of genetic and genomic research Capture, integration, and presentation of descriptive information is a major barrier to achieving an integrated framework Data includes: –clinical histories –radiology and pathology reports –annotations on genomic and image databases –technical literature and Web based resources CLEF - Integrating information

36. e-Science and Grid Middleware e-Science is about global collaboration in key areas of science, and the next generation of infrastructure that will enable it. John Taylor Requirements of e-Science Grid Application Projects determine services required by Grid middleware UK Projects focus more on Grid Data Services than Teraflop/s HPC systems

37. e-Science Core Program: First Phase £15M OST + £20M DTI + £20M Industry 1.Network of e-Science Centres UK e-Science Grid 2.Support for e-Science Applications 3.Grid Network Issues 4.Generic/Industrial Grid Middleware 5.e-Health Grid Grand Challenges 6.Outreach/International Activities

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

39. All e-Science Centres donating resources plus four dedicated compute/data clusters –Supercomputers, clusters, storage, facilities All Centres run same Grid Software –Starting point is Globus 2 and Condor: Storage Resource Broker (SRB) Standard Grid middleware supported –e-Science Grid now at Level 2: moving towards production Grid with real users

40. Access Grid – Group Conferencing Multi-site group-to-group conferencing system Continuous audio and video contact with all participants Globally deployed All UK e-Science Centres have AG rooms Widely used for technical and management meetings

41. Support for e-Science Projects Grid Support Centre in operation –supported Grid middleware & users –see www.grid-support.ac.uk National e-Science Institute –Research Seminars –Training Programme –See www.nesc.ac.uk National Certificate Authority –Issue digital certificates for projects –Goal is single sign-on'

42. Anatomy of a Digital Certificate ABCDEFGHIJKLMNOPQRSTUV Signature from CAs private key Validity Data Public Key A text string Extensions

43. How a certificate is issued The Registration Authority (RA) approves a request for a certificate. The RA is local to the users. The CA then issues the corresponding certificate.

44. How does it work? 1. Scientist wishes to access a resource, so he sends a copy of the certificate to the resource 2. Resource says: prove its your certificate 3. Scientist proves that he has the corresponding private key 4. Resource is convinced that scientist is who he claims to be and decides to give him access Private Key Challenge Response

45. UK CA Statistics, February 2003 250 valid certificates issued 24 RAs (more waiting for approval/training etc) Issuing 60 certificates /month Adding 3 RAs / month Adding 6 RA operators /month UK certificates recognized by EU and US projects

46. 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 (with PPARC and EPSRC) a number of network QoS, scheduling and monitoring projects UKLight lambda connection to Chicago and Amsterdam now approved

47. UK Backbone Infrastructure Based on SuperJANET4 academic network run by UKERNA for JISC WorldCom(!) providing national backbone for SJ4 – now at 20Gbps Connections to universities via MANs at up to 2.5Gbps Last mile problem? Research network use versus teaching, web- searching, email – differential services?

48. SuperJANET4

49. One source sending same data to 3 receivers only has to have one copy of data (more copies are made only when necessary) Multicast Access Grid

50. Networking Research Projects Network Infrastructure GRS, GRID resource management MB-NG, QoS Features GRIDprobe, backbone passive monitoring at 10Gbps FutureGRID, P2P architecture GridMcast, Multicast- enabled data distribution GRID Infrastructure Service Infrastructure

51. CP Collaborative Industrial Projects: First Phase 9 Centres with ring-fenced allocations £11M CP + £11M Industry funding £5M Open Call Projects All First Phase funds now committed Over 60 Companies involved

52. CP Centre Projects 6 projects CeSC, 4 OeSC 5 NEReSC 4 NeSC), 5 SeSC 2 LeSC 5 WeSC 7 eSNW 5 BeSC Total of 43 projects 68 different companies Range of disciplines (IT, Engineering, Pharma, Environmental etc) New sectors engaged (broadcasting, defence, banking etc) Industrial Funds more than match DTI funds All Centres have spent money allocated or have projects under consideration

53. CP Open Call Projects Visualization Middleware for e-Science e-Science Technologies in the Simulation of Complex Materials Performance-based Middleware for Grid Computing A scalable monitoring platform for the GRID (GridProbe) eDiamond distributed mammographic archive End-to-End traffic management services Information eXtraction from Images (IXI) Deductive Synthesis Techniques to the Rapid Assembly of Grid Applications Trustworthy GRID Resource Management A Grid-based approach to the validation and testing of lubrication models Self-Organising GRID Resource Management Jigsaw: Distributed and dynamic visualisation generation FutureGRID: a program for long-term research into GRID systems architecture Total of 13 projects

54. OGSA – DAI Project Design Specification completed –Papers for GGF WG on Database Access and Integration Services Three Prototypes delivered: –Distributed Query Service –XML Database Interface –Relational Database Interface Alpha versions delivered January 2003 –Integrate with Globus GT3

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

56. 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 IRC Grand Challenge Projects

57. e-Health Grid Grand Challenges Grid-Enabled Knowledge Services for Medical Informatics - Triple Assessment in Breast Cancer: Clinical, Radiological and Cytological data fusion Grid-based Medical Devices for Everyday Health - Patient sensors, mobile wireless communication eDiamond Digital Mammography - Normalized archive of mammograms - Oxford, IBM (£2M), Mirada and Hospitals

58. Mammograms have different appearances, depending on image settings and acquisition systems SMF is a normalised representation independent of scanner settings eDiamond

59. Applications of SMF Training and Differential Diagnosis Find one like it Teleradiology and QC VirtualMammo Epidemiology SMFcomputed breast density ? Advanced CAD SMF-CAD workstation

60. International Involvement Funding UK participation in the Global Grid Forum Research/Working Groups Funding for International CS Grid Fellowships – CERN DataGrid and USA iVDGL International members on TAG Participation in EU FP5 Grid Activities –e.g. EU DataGrid and DataTAG projects Development of FP6 Grid Projects –First call closes April/May –EGEE, EU Open Middleware Infrastructure Institute?

61. e-Science Demonstrators Dynamic Brain Atlas Biodiversity Chemical Structures Mouse Genes Robotic Astronomy Collaborative Visualisation Climateprediction.com Medical Imaging/VR Seamless Access to Multiple Databases

62. UK e-Science Funding First Phase: 2001 –2004 Application Projects –£74M –All areas of science and engineering Core Programme –£35M –Collaborative industrial projects Second Phase: 2003 –2006 Application Projects –£96M –All areas of science and engineering Core Programme –£16M + £25M (?) –Core Grid Middleware

63. Core Programme 2 Overall Rationale: Four major functions of CP –Assist development of essential, well- engineered, generic, Grid middleware usable by both e-scientists and industry –Provide necessary infrastructure support for UK e-Science Research Council projects –Collaborate with the international e-Science and Grid communities –Work with UK industry to develop industrial-strength Grid middleware

64. Core Programme 2 6 Key Activities for Second Phase 1.UK e-Science Grid/Centres and e-Science Institute 2.Grid Support Centre and Network Monitoring 3.Core Middleware engineering 4.National Data Curation Centre 5.e-Science Exemplars/New Opportunities 6.Outreach and International involvement

65. Core Grid Middleware Need to develop open source, open standard compliant, Grid Middleware stack that will integrate and federate with industrial solutions Software Engineering focus as well as R&D Aim is to produce robust, well-documented, re-usable software that is maintainable and can evolve to embrace emerging Grid Service standards Major focus of Core Programme 2

66. National Data Curation Centre 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 Need to research and develop technologies and best practice for curating digital data Need to liaise closely with individual research communities and data archive centres

67. DIRECTOR CORE PROGRAMME National Centre Programme EPsrc/DTI Finance Grid Network Team e-Science Steering Committee CCLRC Projects Grid Support Team Director General OST e-Science Operations Committee Research Council Pilots HPC Centres 4 IRC +Projects Open Call Projects 9 Grid Demos Reports International Deputy Director Technical Advisory Group

68. Information International Director Core Programme National Centre e-Science Institute Data Base Taskforce Architecture Taskforce 8 Regional Centres Security Taskforce UKERNA EPsrc/DTI Finance Grid Network Team Global Grid Forum e-Science Steering Committee CCLRC Projects NERC Pilots Grid Support Team Dir Gen OST e-Science Operations Committee Esrc Pilots MRC Pilots BBsrc Pilots PPARC Pilots EPsrc Pilots HPC Centres CERN Other International Projects EU Framework Projects US Players 4 IRCs 5 Projects Grid USERS ICT Suppliers JISC Open Call Projects SR2002 Bid 9 Grid Demos DTI Outreach Reports Hinxton Network Monitoring Gridnet NHSNet Grid Fellowships Publicity Keyworth GEANT £20M of 50 Projects CCLRC RAL & DL Web sites Deputy Director Technical Advisory Group HEFCE 4 IRCs 5 Projects Grid USERS ICT Suppliers Open Call Projects Data Base Taskforce Architecture Taskforce Security Taskforce UKERNA Grid Network Team JISC Reports Network Monitoring Global Grid Forum National Centre e-Science Institute 8 Regional Centres £20M of 50 Projects CCLRC Projects NERC Pilots Grid Support Team Esrc Pilots MRC Pilots BBsrc Pilots PPARC Pilots EPsrc Pilots CERN EU Framework Projects US Players Gridnet Grid Fellowships GEANT International CCLRC RAL & DL 9 Grid Demos DTI Outreach Publicity Web sites Information Other International Projects

69. Information International Director Core Programme National Centre e-Science Institute Data Base Taskforce Architecture Taskforce 8 Regional Centres Security Taskforce UKERNA EPsrc/DTI Finance Grid Network Team Global Grid Forum e-Science Steering Committee CCLRC Projects NERC Pilots Grid Support Team Dir Gen OST e-Science Operations Committee Esrc Pilots MRC Pilots BBsrc Pilots PPARC Pilots EPsrc Pilots HPC Centres CERN Other International Projects EU Framework Projects US Players 4 IRCs 5 Projects Grid USERS ICT Suppliers JISC Open Call Projects SR2002 Bid 9 Grid Demos DTI Outreach Reports Hinxton Network Monitoring Gridnet NHSNet Grid Fellowships Publicity Keyworth GEANT £20M of 50 Projects CCLRC RAL & DL Web sites Deputy Director Technical Advisory Group HEFCE Industry & Commerce IBM Microsoft Sun Logica SGI BAE Systems Rolls Royce Welcome Compaq Oracle Platform Avaki Entropia HP ABB Bayer Intel Pfizer NAG Avantium GSK Qinetiq Data Systs Roche BMT CCDC Fujitsu Met Office CFS Cons BP Pallas AVS RTZ Epistemics Fluent BNFL Delta Dot RVCO ltd Infosense Merck AstraZeneca Unilever Technical Advisory Group

70. Information International Director Core Programme National Centre e-Science Institute Data Base Taskforce Architecture Taskforce 8 Regional Centres Security Taskforce UKERNA EPsrc/DTI Finance Grid Network Team Global Grid Forum e-Science Steering Committee CCLRC Projects NERC Pilots Grid Support Team Dir Gen OST e-Science Operations Committee Esrc Pilots MRC Pilots BBsrc Pilots PPARC Pilots EPsrc Pilots HPC Centres CERN Other International Projects EU Framework Projects US Players 4 IRCs 5 Projects Grid USERS ICT Suppliers JISC Open Call Projects SR2002 Bid 9 Grid Demos DTI Outreach Reports Hinxton Network Monitoring Gridnet NHSNet Grid Fellowships Publicity Keyworth GEANT £20M of 50 Projects CCLRC RAL & DL Web sites Deputy Director Technical Advisory Group HEFCE Industry & Commerce IBM Microsoft Sun Logica SGI BAE Systems Rolls Royce Welcome Compaq Oracle Platform Avaki Entropia HP ABB Bayer Intel Pfizer NAG Avantium GSK Qinetiq Data Systs Roche BMT CCDC Fujitsu Met Office CFS Cons BP Pallas AVS RTZ Epistemics Fluent BNFL Delta Dot RVCO ltd Infosense Merck AstraZeneca Unilever Technical Advisory Group IBM

71. Information International Director Core Programme National Centre e-Science Institute Data Base Taskforce Architecture Taskforce 8 Regional Centres Security Taskforce UKERNA EPsrc/DTI Finance Grid Network Team Global Grid Forum e-Science Steering Committee CCLRC Projects NERC Pilots Grid Support Team Dir Gen OST e-Science Operations Committee Esrc Pilots MRC Pilots BBsrc Pilots PPARC Pilots EPsrc Pilots HPC Centres CERN Other International Projects EU Framework Projects US Players 4 IRCs 5 Projects Grid USERS ICT Suppliers JISC Open Call Projects SR2002 Bid 9 Grid Demos DTI Outreach Reports Hinxton Network Monitoring Gridnet NHSNet Grid Fellowships Publicity Keyworth GEANT £20M of 50 Projects CCLRC RAL & DL Web sites Deputy Director Technical Advisory Group HEFCE International USA France Germany Brazil Holland Japan China Italy Scandinavia Australia Switzerland Austria Singapore Belgium Canada Ireland Poland Spain South- America

72. Information International Director Core Programme National Centre e-Science Institute Data Base Taskforce Architecture Taskforce 8 Regional Centres Security Taskforce UKERNA EPsrc/DTI Finance Grid Network Team Global Grid Forum e-Science Steering Committee CCLRC Projects NERC Pilots Grid Support Team Dir Gen OST e-Science Operations Committee Esrc Pilots MRC Pilots BBsrc Pilots PPARC Pilots EPsrc Pilots HPC Centres CERN Other International Projects EU Framework Projects US Players 4 IRCs 5 Projects Grid USERS ICT Suppliers JISC Open Call Projects SR2002 Bid 9 Grid Demos DTI Outreach Reports Hinxton Network Monitoring Gridnet NHSNet Grid Fellowships Publicity Keyworth GEANT £20M of 50 Projects CCLRC RAL & DL Web sites Deputy Director Technical Advisory Group HEFCE A viable Core Programme must have this scope and an infrastructure to support it!

73. e-Science and the Grid e-Science will change the dynamic of the way science is undertaken. John Taylor, 2001 Need to convince university IT Directors!

74. 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