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The UK e-Science Programme&
The National e-Science Centre
Malcolm AtkinsonDirector of NeSC
Universities of Edinburgh and Glasgow
Scottish Regional Forum17th January 2002
Contents
What is e-Science?What do we expect from the Grid?Some examples of e-Science projects
The UK e-Science Programme
NeSC’s Role & Structuree-Science Institute
The Road ahead
What is e-Science?
An acceleration of a trend?
A sea change in scientific method?
A new opportunity for science?
Accelerating Trend
More and More dataInstrument resolution doubling /12 monthsInstrument and telemetry speeds increasingStorage capacity doubling / 12 monthsNumber of data sources doubling / ?? months
More and More ComputationComputations available doubling / 18 monthsAnalyses and simulations increasing
Faster networksRaw bandwidth doubling / 9 months
These Integrate and EnableMore interplay between computation and dataMore collaboration among scientists, medics, engin….More international collaboration
Sea ChangeIn Silico discovery
Exploration of data and models predicts resultsVerified by directed experiments Combinatorial chemistry Gene function Protein Structure, …
Shared ResourcesResearcher’s Workbench Laboratory team Multi-national network of labs + modellers Public instruments, repositories and simulations
Floods of (public) data + diversityMore than can be used by human inspectionGene sequence doubling / 9 months Searches required doubles / 4.5 months
1. Prior test against data and models2. Experimental Procedures3. Sanity check on results against data and models
But …
Skilled scientists and computer scientistsRoughly static in numberDiminishing in available attention for any taskDistributed systems remain hard
E.g. component failures and latency are always with us
Important data still in documents
More subjects experiencing the Data delugeAnalysis avalancheSimulation bonanzaCollaboration growth
Must therefore find general solutionsAnd make technology easier to use
The New Behaviour
Shared InfrastructureIntrinsically distributedIntrinsically multi-organisationalMultiple uses interwoven
Shared SoftwareA new attempt at making distributed computing economic, dependable and accessibleScientists from all disciplines share in its design and use
Shared & Automated System AdministrationReplicated farms of replicated systemsAutonomic management
Immediate benefitFaster transfer of ideas and techniques between disciplinesAmortisation of development, operation and education
Not Just Scientists
EngineersThey already travel the same path
Finance, economy, politics, …We can expect best use of data and models to guide the decisions that affect our livese.g. home climate simulation may moderate greenhouse gas emissions
MedicineSee above
Industry & CommerceSee above
The UK Office of Science & TechnologyHas these extensions firmly in mindSo have twelve computing & S/W companies
Signed agreements with GGF
Several Assumptions
The Technology is ReadyNot true — its emerging
Joining in the task of building middleware Of Advancing Standards Of Developing Dependability
The Scientists / Engineers, … want thisNot universally true
Addressed by Pilot projects and Demonstrators Addressed by The e-Science Institute
One Size Fits AllNot true
Addressed by a minimum set of composable virtual services But starting with Globus
It’s only for “big” scienceNo — “small” science collaborates too!
We know how we will use gridsNo — Disruptive technology
DOE X-ray grand challenge: ANL, USC/ISI, NIST, U.Chicago
tomographic reconstruction
real-timecollection
wide-areadissemination
desktop & VR clients with shared controls
Advanced Photon Source
Online Access to Scientific Instruments
archival storage
From Steve Tuecke 12 Oct. 01
Mathematicians Solve NUG30Looking for the solution to the NUG30 quadratic assignment problem An informal collaboration of mathematicians and computer scientistsCondor-G delivered 3.46E8 CPU seconds in 7 days (peak 1009 processors) in U.S. and Italy (8 sites)
14,5,28,24,1,3,16,15,10,9,21,2,4,29,25,22,13,26,17,30,6,20,19,8,18,7,27,12,11,23
MetaNEOS: Argonne, Iowa, Northwestern, WisconsinFrom Miron Livny 7 Aug. 01
Network for EarthquakeEngineering Simulation
NEESgrid: national infrastructure to couple earthquake engineers with experimental facilities, databases, computers, & each otherOn-demand access to experiments, data streams, computing, archives, collaboration
NEESgrid: Argonne, Michigan, NCSA, UIUC, USCFrom Steve Tuecke 12 Oct. 01
Community =1000s of home computer usersPhilanthropic computing vendor (Entropia)Research group (Scripps)
Common goal= advance AIDS research
Home ComputersEvaluate AIDS Drugs
From Steve Tuecke 12 Oct. 01
UK e-Science
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.’
‘e- Science will change the dynamic of the way science is undertaken.’
J ohn TaylorDirector General of Research Councils
Offi ce of Science and Technology
From presentation by Tony Hey
£80m Collaborative projects
E-ScienceSteering
Committee
DG Research Councils
Director Director’s
Management RoleDirector’s
Awareness and Co-ordination Role
Generic Challenges EPSRC (£15m), DTI (£15m)
Industrial Collaboration (£40m)
Academic Application SupportProgramme
Research Councils (£74m), DTI (£5m)
PPARC (£26m) BBSRC (£8m) MRC (£8m) NERC (£7m) ESRC (£3m) EPSRC (£17m) CLRC (£5m)
Grid TAG
e-Science Programme e-Science Programme
From Tony Hey 27 July 01
UK e-Science Initiative (1)
£120M 3 Year Programme to create the next generation IT infrastructure to support e-Science and Business
SR2000 – Funded UK e-Science Grid and Grid Support Centre, e-Science Application research projects and industrial collaboration
SR2002 – Bidding for additional funding to extend scope of e-Science programme
Essential that UK plays a leading role in Global Grid development with the USA, EU and Asia
From presentation by Tony Hey
UK e-Science Initiative (2)
£120M Programme over 3 years
£75M is for Grid Applications in all areas of science and engineering
£10M for Supercomputer upgrade
£35M for development of ‘industrial strength’ Grid middleware
Require £20M ‘matching’ funds from industry
Prof. Tony HeyDirector of the Core Programme
From presentation by Tony Hey
Cambridge
Newcastle
Edinburgh
Oxford
Glasgow
Manchester
Cardiff
Southampton
London
BelfastDL
RALHinxton
UK Grid Network
From Tony Hey 27 July 01
Scotland via Glasgow
NNW
Northern Ireland
MidMAN
TVN
South WalesMAN
SWAN&BWEMAN
WorldComGlasgow
WorldComEdinburgh
WorldComManchester
WorldComReading
WorldComLeeds
WorldComBristol
WorldComLondon
WorldComPortsmouth
Scotland via Edinburgh
YHMAN
NorMAN
EMMAN
EastNet
External Links
LMN
KentishMANLeNSE
10Gbps
622Mbps155Mbps
SuperJanet4, June 2002 20Gbps
2.5Gbps
From presentation by Tony Hey
Access Grid Nodes
Technology Developed by Rick Stevens’ group at Argonne National Laboratory
Access Grid will enable informal and formal group to group collaboration
Distributed lectures and seminarsVirtual meetingsComplex distributed grid demos
Uses MBONE and MultiCast Internet Technologies
Access Grid
From presentation by Tony Hey
Grid Middleware R&D£16M funding available for industrial collaborative projects£11M allocated to Centres projects plus £5M for ‘Open Call’ projects- approved £0.5M ‘Centre’ project with Imperial College Sun Centre of ExcellenceSet up two Task Forces- Database Task Force (Chaired by Norman Paton from Manchester Centre)- Architecture Task Force (Chaired by Malcolm Atkinson, Director of NeSC)
From presentation by Tony Hey
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’ Project IRC ‘Grand Challenge’ Project
From presentation by Tony Hey
e-Healthcare Grand Challenge e-Healthcare Grand Challenge
Funding £0.5M projects to give Grid dimension to these IRCsFunding £2M Joint IRC projects with MIAS on e-Healthcare application
Example: Breast cancer surgery – normalization of mammography and
ultrasound scans- FE modelling of breast tissue Deliver useful clinical information to
surgeon ensuring privacy and security
From presentation by Tony Hey
UK e-Science Projects
£75M for e-Science application ‘pilots’- spans all sciences and engineeringParticle Physics and Astronomy (PPARC)- £20M GridPP and £6M AstroGridEngineering and Physical Sciences (EPSRC)- funding 6 projects at around £3M eachBiology, Medical and Environmental Science- projects with total value of £20M will be announced soon
From presentation by Tony Hey
Particle Physics and Astronomy e-Science Projects
GridPPlinks to EU DataGrid, CERN LHC Computing Project, US GriPhyN and PPDataGrid Projects, and iVDGL Global Grid Project
AstroGridlinks to EU AVO and US NVO projects
From presentation by Tony Hey
Comb-e-Chem:Structure-Property Mapping
Southampton, Bristol, Roche, Pfizer, IBM
DAME: Distributed Aircraft Maintenance Environment
York, Oxford, Sheffield, Leeds, Rolls Royce
Reality Grid: A Tool for Investigating Condensed Matter and Materials
QMW, Manchester, Edinburgh, IC, Loughborough, Oxford, Schlumberger, …
EPSRC e-Science Projects (1)
From presentation by Tony Hey
EPSRC e-Science Projects (2)
My Grid: Personalised Extensible Environments for Data Intensive in silico Experiments in Biology
Manchester, EBI, Southampton, Nottingham, Newcastle, Sheffield, GSK, Astra-Zeneca, IBM, Sun
GEODISE: Grid Enabled Optimisation and Design Search for Engineering
Southampton, Oxford, Manchester, BAE, Rolls Royce
Discovery Net: High Throughput Sensing Applications
Imperial College, Infosense, …
From presentation by Tony Hey
Comb-e-ChemStructure-Property MappingGoal is to integrate structure and property data sources within knowledge environment to find new chemical compounds with desirable properties- Accumulate, integrate and model extensive range of primary data from combinatorial methods- Support for provenance and automation including multimedia and metadataSouthampton, Bristol, Cambridge Crystallographic Data Centre, Roche Discovery, Pfizer, IBM
From presentation by Tony Hey
MyGrid e-Science Workbench
Goal is to develop ‘workbench’ to support:Experimental process of data accumulationUse of community informationScientific collaboration
Provide facilities for resource selection, data management and process enactmentBioinformatics applications
Functional genomics, pattern database annotation
Manchester, EBI, Newcastle,Nottingham, Sheffield, SouthamptonGSK, AstraZeneca, Merck, IBM, Sun, ...
From presentation by Tony Hey
e-Science DemonstratorsDynamic Brain AtlasBiodiversityChemical StructuresMouse GenesRobotic AstronomyCollaborative Visualisation Climateprediction.comMedical Imaging/VR
From presentation by Tony Hey
Contents
What is e-Science?What do we expect from the Grid?
The UK e-Science Programme
NeSC’s Role & Structure
The Road ahead
NeSC’s context
NeSC
eSIGSC
Application Pilots IRCs …e-Science Centrese-Scientists, Grid users, Grid services & Grid Developers
UK Core Directorate Global Grid Forum …
CS Research
TAGDBTF ATF
GNT
Coordination
NeSC’s Roles
Stimulation of Grid & e-Science ActivityUsers, developers, researchersEducation, Training, SupportThink Tank & Research
Coordination of Grid & e-Science ActivityRegional Centres, Task Forces, Pilots & IRCsTechnical and Managerial ForaSupport for training, travel, participation
Developing a High-Profile e-Science Institute
MeetingsVisiting ResearchersInternational Collaboration
Regional SupportPortfolio of Industrial Research Projects
NeSC — The TeamDirector
Malcolm Atkinson (Universities of Glasgow & Edinburgh)
Deputy Director Arthur Trew (Director EPCC)
Commercial Director Mark Parsons (EPCC)
Regional DirectorStuart Anderson (Edinburgh Informatics)
Chairman Richard Kenway (Edinburgh Physics & Astronomy)
Initial Board MembersMuffy Calder (Glasgow Computing Science)Tony Doyle (Glasgow Physics & Astronomy)
Centre ManagerAnna Kenway
Conference ManagerAndrea Grainger
e-Science Institute
The Story so FarAugust & September
3 workshops week 1: DF1, GUM1 & DBAG1 HEC2 and the Grid preGGF3 & DF2
October Steve Tuecke Globus tutorial (oversubscribed) 4-day workshop Getting Going with Globus (G3)
– Reports on DataGrid & GridPP experience Biologist Grid Users’ Meeting 1 (BiGUM1)
November GridPP Configuration management
December Architecture & Strategy with Ian Foster et al. AstroGrid DIRC meeting
625 participants, 107 organisations, so far
eSI Highlights cont.2002
January Regional meeting Steve Tuecke et al. 4 day Globus Developers’ Workshop Pilot project workshop Grid Portals & Problem Solving Environments Workshop
February — closed for renovationMarch
Protein folding Workshop 14th to 17th IBM sponsor
April XML, XML Schema, Web Services Tutorials Getting OGSA Going Workshop Managing Grid Software Projects Advanced Tutorials Digital Libraries, Librarians, Museums and the Grid
May Mind and Brain Workshop
eSI continued
21st to 26th July 2002GGF5 & HPDC 11 EICCAugust Research Festival ?
14th to 16th April 2003 Dependability
Suggestions Please
e-Science InstituteWelcomes suggestions and organisersAny topic related to e-Science
How your subject may use e-ScienceHow your technology may benefit e-Science
Any formatTutorial, advanced tutorial, workshop, scientific meeting
We can give travel, organisation, accommodation supportThis building renovated!
Mail director@nesc.ac.uk
Contents
What is e-Science?What do we expect from the Grid?
The UK e-Science Programme
NeSC’s Role & Structure
The Road ahead
Where to Concentrate
International & Industrial CollaborationIdeas, experiments, software, standards
Integrating Data across the GridData growth demands new methodsData ownership expects respect & securityData is hard to scan — indexing & queryData is hard to move — query & move codeHuman attention is scarce but essential
Machine-assisted annotation, provenance, archiving Machine-assisted data mining Machine-assisted ontology construction & integration
Human-factors must drive designs
Dynamic, Dependable and Virtual FabricImproved Programming Models
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