Moving Forward with e-science in The PRISM Forum

Transcription

1 Moving Forward with e-science in The PRISM Forum 1

2 Summary Reminder! What do we mean by e-science? So what is the current status of e-science (GRIDS)? And where is this going? Standards and Middleware EU 6 th Framework Programme Joint Wellcome Trust UK e-science Retreat Different types of GRIDS How to move forward with e-science in Pharma? 2

3 What do we mean by e-science? e-science science increasingly done through distributed global collaborations enabled by the internet using very large data collections, terascale computing resources and high performance visualisation Grid new generation information utility middleware, software and hardware to access, process, communicate and store huge quantities of data infrastructure enabler for e-science 3

4 The UK e-science Vision e-science is about global collaboration in key areas of science, and the next generation of infrastructure that will enable it. e-science will change the dynamic of the way Science is undertaken. [The UK 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, 23 rd May

5 Why we need a UK e-science programme? To provide infrastructure and facilities needed for next major stages of collaborative research in: health and medicine genomics and bioscience particle physics and astronomy environmental science engineering design chemistry and material science social sciences 5

6 Why we need an e-science programme? To provide the UK-wide national infrastructure and facilities needed for the UK s participation in world wide science research across all disciplines One national information utility infrastructure not one per discipline, in silico experimentation, huge data collections, global col-laboratories, not individual client- server integrated campus infrastructure for all disciplines 6

7 J Taylor, mod. by Hoffmann, Putzer, Reinefeld Supercomputer Experiment PC-Cluster Scientist/user Supercomputer Archive PC-Cluster Analysis Archive Often monolithic, vertical, proprietary solutions Through open, standard interfaces: flexible, adaptable, interchangeable, multiple vendor solutions Scientist/user M i d d l e w a r e Supercomputer PC-Cluster Archive PC-Cluster Analysis Archive Analysis Experiment Supercomputer 7

8 Grids, continued Mobile Access Workstation G R I D M I D D L E W A R E Supercomputer, PC-Cluster Data-storage, Sensors, Experiments, Grid enabled Applications Visualising Internet, networks 8

9 The GRID Vision Computing resources Instruments Eventually, users will be unaware Complex problem they are using any computer but the one on their desk, because it will have the capabilities to reach out across the (inter-) national network and obtain whatever computational resources are necessary Data GRID (Larry Smarr and Charles Catlett, 1992) Knowledge People Solution 9

10 From the Sublime to the Ridiculous From Tony Blair to the universal inclusion of the word GRID in all applications for resources Grid and e-science have come a long way:..\enterthegrid.htm 10

11 A (rough) Timeline of the Web 1988 Internet established 1989 first idea and paper from TBL 1990 development begun on Next computers, CERN Web server 1991 character-mode browsers on VM and VM/CMS (saving remote logins) 1992 Physics uses Web extensively and groupies gather 1993 MOSAIC browser UNIX primarily, PCs and Macs second 1994 May, NETSCAPE formed, Bay Area pilots, World impact vision appears. Web pages for IT companies Windows 95, MS file formats more acceptable. TBL left CERN for MIT 1996 Java.Web well established in large companies 1997 Battle of the browsers fairly ubiquitous in homes 11

12 Timeline of the GRID 1998 and before, Metacomputing S/C community, early adopters e.g. NASA IPG 1999 The Bible from Foster and Kesselman, Taylor plants idea for UK pending Review, first words to PRISM 2000 UK spending review in November, DataGRID discusions 2001 UK money, EU money, GGF1, computer industry 2002 OGSA, industry role and commitment, GLOBUS 2, heavy involvement by IBM et al 2003 EU FP6, OGSA implementations One has to chose the moment to move forward 12

13 Global GRID Forum First Meeting, joining separate Grid Forum initiatives, Amsterdam in April 2001, sold out with 350 people Subsequent meetings in Washington, Rome, Toronto, Edinburgh, excellent attendance And growing industry attendance As the role that industry will play in this open source - open interface unfolds Next Meeting,, (this week) Chicago. First Meeting with Working Groups only (have a look to see if you have someone that should be there) So far everyone is still playing the same game! 13

14 Globus and other Middleware Globus isn t good enough, but its what we have (Why only one Web?) So let s develop Globus (release 2 available, release 3 under specification) It needs functionality, and it needs hardening! White Papers: The Anatomy of the GRID The Physiology of the GRID Open Services GRID Architecture OGSA Convergence with Web Services Computer Industry involvement Define API s and protocols So industry may produce alternative middleware, written to these interfaces 14

15 OGSA DAI Project Key middleware project for UK Program - Total Budget 3M (CP 1.5M) Three Centres involved: - Edinburgh, Manchester and Newcastle Industrial partners: - IBM US, IBM Hursley and Oracle UK Develop high-quality data-centric middleware 15

16 OGSA DAI Project Design Specification completed Paper for WG on Database Access and Integration Services Three Prototypes delivered: Distributed Query Service XML Database Interface Relational Database Interface Final versions by November 2002 Integrated with Globus GT3 16

17 EU 6 th Framework Programme Introduces new components of Networks of Excellence and Integrated Projects Within the European Research Space Perhaps correcting funding asymmetry with e.g NSF Delegation of management of major ambitious projects to key players Will pay 100% management costs! Opportunity for EIROFORUM Institutions 17

18 Very ambitious FP6 Integrated Projects (seen in April 2002) Tens of millions of Euros over 3 to 5 years Group of key players, typically 20 rather than 5 Solicitation for Expressions of Interest, April 7 th until June 7 th 2002 Call for Proposals ~ around end 2002 Money not before second half of

19 FP6 in Expressions of Interest in May (Also NoIs) Analysis of EoI and NoI s, EU Meetings now to discuss plans maybe not so much money for IP s For GRIDS/e-Science/(Ambient Intelligence?) Overall some time to mature needed Early call for proposals around Infrastructure Dec for say 50 M. Later a call for EU Networking, son of GEANT, 100 M Later a call for e-science Application money for M 19

20 Joint Wellcome UK e-science Retreat on GRIDS for Bioinformatics A distinguished collection including the usual main suspects! In Hinxton Hall on Wellcome Trust Genome Campus, with the same facilities used for the PRISM founding meeting Revealed the tension between the service providers and the front-line developers Revealed the lack of IT architects in bioinformatics community (rather application driven) Revealed that Hinxton Campus has no planned IT infrastructure Nonetheless the objective of launching the bioinformatic community into GRIDS was achieved Looking at ways to start with Hinxton GRID, start to adapt EBI services to GRID, extend to e.g. 3D mouse database 20

21 Types of GRIDS? Cycle Scavenging GRIDS Supercomputer GRIDS Compute intensive GRIDS (e.g. distributed farms/clusters, simulations, fast interactive response ) Data GRID (very large amounts of distributed data, data tends to move to be computed) Service GRID (Astronomical combined data, BLAST search on genome, protein databases) Integration GRID (of many distributed heterogeneous dbs) 21

22 Three Layer GRID Abstraction Knowledge Grid Data to Knowledge Information Grid Control Computation/ Data Grid Data Information Knowledge Un-interpreted bits and bytes Data equipped with meaning Information applied to achieve a goal, solve a problem or enact a decision 22

23 Databases in the Grid Data Complexity Computational Complexity 23

24 IBM MyGrid Personalised extensible environments for data-intensive in silico experiments in biology Professor Carole Goble, University of Manchester Dr Alan Robinson, EBI 24

25 Consortium Scientific Team Biologists and Power Biologists GlaxoSmithKline, AstraZeneca, Merck KGaA, Manchester, EBI Technical Team Manchester, Southampton, Newcastle, Sheffield, EBI, Nottingham IBM, SUN GeneticXchange Network Inference, Epistemics Ltd 25

26 Comparative Functional Genomics Vast amounts of data & escalating Highly heterogeneous Data types Data forms Community Highly complex and interrelated Volatile 26

27 mygrid Project Imminent deluge of data Highly heterogeneous Highly complex and interrelated Convergence of data and literature archives 27

28 mygrid Generic Technologies Database access from the Grid Process enactment on the Grid Personalisation services Metadata services Development of Agent Services Ultimate goal is to put Grid Services together with Ontologies to develop Semantic Grid 28

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

30 A Pharma-GRID Retreat? In which way(s) should Pharma get involved with GRIDS? And at what times? Cycle scavenging is entry level with low resistance for approval Can we use this technology for better integration? Can we do things with GRIDS we couldn t do before? Can we ask question we considered impossible before? Can we play interactively with ideas that were batch jobs before and hence not tried? Is there work on GRIDS that the pharma industry needs done specially for them? Are there pre-competitive projects? Can this technology speed up the famous time to market? What about GRIDS in the clinical arena, regulatory domain? Etc...A host of questions..can we gain competitive advantage? 30

31 A Pharma-GRID Retreat? Participation of distinguished GRID experts? - probably OK How many participants per company? One, two, more? Where? Pharma company CERN National UK E-Science Centre in Edinburgh other? Finances? As PRISM? How long? One day, 1.5, 2? The objective of the review and brainstorming should be to clarify relevance to pharma of this technology in which time-frames, and to determine which ways one could move forward in bringing e-science to Pharma 31

32 So would you like me to try to organise such a Retreat? 32

33 BioGRIDS? See Rick Steven's Presentation 33