Welcome

Malcolm AtkinsonDirector

www.nesc.ac.uk

28th May 2004

What is e-Science?Invention and exploitation of advanced computational methodsto generate, curate and analyse research dataFrom experiments, observations and simulationsQuality management, preservation and reliable evidenceto develop and explore models and simulationsComputation and data at extreme scalesTrustworthy, economic, timely and relevant resultsto enable dynamic distributed virtual organisationsFacilitating collaboration with information and resource sharingSecurity, reliability, accountability, manageability and agility

The Primary Requirement Enabling People to Work Together on Challenging Projects: Science, Engineering & Medicine

UK e-Science Budget (2001-2006)Staff costs -Grid Resourcesfunded separatelySource: Science Budget 2003/4 2005/6, DTI(OST)Total: 213M

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21.1

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57.6

13.6

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77.7

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MRC (21.1M)1256.96.221.115.5949741316

BBSRC (18M)125551813.3037694013

NERC (15M)124441511.0864745011

PPARC (57.6M)381516.415.257.642.5720620843

ESRC (13.6M)0125.55.113.610.051736881

CLRC (10M)11.52.52.52.5107.3909830007

EPSRC (77.7M)6132217.219.577.757.4279379157

135.3100

EPSRC6132217.219.577.7

HPC03602.511.514.8005148005

Core3668.2831.240.1544401544

Applied3410993545.045045045

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The e-Science CentresCeSC (Cambridge)

The e-ScienceGridCeSC (Cambridge)Engineering Task Force(Contributions from e-Science Centres)

Grid Support Centre / Grid Operations Centre

OGSA Test Grid projects

Fundamental & Growing AssetsUnderstanding of Processes & RequirementsInternational and Multi-disciplinary Skill baseExperience composing & adapting existing technologiesand of building new componentsExperience Supporting Developers and UsersExperience Establishing Virtual Organisations across Enterprise boundariesEmbedded in People & Teams, Growing they need nurture

Relative ImportanceWhat envelopes you put your messages inHow they are deliveredInfrastructure to organise a common technical platform the foundations of communication

Relative ImportanceWhat envelopes you put your messages inHow they are deliveredInfrastructure to organise a common technical platform the foundations of communicationWhat information you send in your messagesTheir patterns of Use - sequences that mean somethingTheir ContentsThe Grammar and Vocabulary of CommunicationAgreed Interpretations

Relative ImportanceWhat envelopes you put your messages inHow they are deliveredInfrastructure to organise a common technical platform the foundations of communicationWhat information you send in your messagesTheir patterns of Use - sequences that mean somethingTheir ContentsThe Grammar and Vocabulary of CommunicationAgreed InterpretationsWhat you do when you get a messageThe Application Code you ExecuteThe Middleware ServicesSecurity, Privacy, Authorisation, Accounting, Registries, Brokers, Integration ServicesMulti-site Hierarchical Scheduling, Data Access & Integration, Portals, Workflow Systems, Virtual Data, Semantic GridsTools to support Application Developers, Users & OperationsIncremental deployment tools, diagnostic aids, performance monitoring, TechnicalExperts

Relative ImportanceWhat envelopes you put your messages inHow they are deliveredInfrastructure to organise a common technical platform the foundations of communicationWhat information you send in your messagesTheir patterns of Use - sequences that mean somethingTheir ContentsThe Grammar and Vocabulary of CommunicationAgreed InterpretationsWhat you do when you get a messageThe Application Code you ExecuteThe Middleware ServicesSecurity, Privacy, Authorisation, Accounting, Registries, Brokers, Integration ServicesMulti-site Hierarchical Scheduling, Data Access & Integration, Portals, Workflow Systems, Virtual Data, Semantic GridsTools to support Application Developers, Users & OperationsCreative Actions and Judgements of Researchers, Designers & CliniciansData, Models & AnalysesIn Silico Experiments, Design, Diagnosis & PlanningCreating the Scientific RecordDomainExperts

GT & WSRF Timeline20042005Not waiting for finalisationof WSRF specs.Use as submitted

Components in GT 3.0WSCoreResource ManagementJAVAWS Core(OGSI)OGSI C BindingsPre-WSGRAMWS GRAM(OGSI)

Components in GT 3.2

Planned Components in GT 4.0

Importance of collaboration: VDTA highly successful collaborative effortVDT Working GroupVDS (Chimera/Pegasus) teamProvides the V in VDTCondor TeamGlobus AllianceNMI Build and Test team EDG/LCG/EGEEMiddleware, testing, patches, feedback PPDGHardening and testingPacmanProvides easy installation capabilityCurrently Pacman 2, moving to Pacman 3 soon

Used by many projectsSystematic testingRich integration of componentsThe UK should be part of this exploit test bed contribute componentsThanks to Miron Livny

Some bioinformatics siteshttp://www.ntrac.org.uk/NetworkCentres/Edinburgh/Edinburgh.asphttp://www.gti.ed.ac.uk/Linking genomic and proteomic datahttp://genex.hgu.mrc.ac.uk/Interesting atlas for organising collections of gene expression data

Biology & MedicineExtensive Research Community>1000 at Glasgow UniversityExtensive ApplicationsMany people care about themHealth, Food, EnvironmentInteracts with virtually every disciplinePhysics, Chemistry, Nanoengineering, 450 Databases relevant to bioinformaticsHeterogeneity, Interdependence, Complexity, Change, Wonderful Scientific QuestionsHow does a cell work?How does a brain work?How does an organism develop?Why is the biosphere so stable?What happens to the biosphere when the earth warms up?

Database GrowthPDB Content Growth

Biomedical research is knowledge and data intensive: For example experiments in developmental genetics could involve large volume data capture, 3D reconstruction, data mapping for quantitative & comparative analysis, data mining, modeling and simulation.

3-Channel fluorescent imaging:

12 day mouse embryoGreen - developing nervous tissueBlue - gut and other organsRed - ventricles of the heartAccess to high-performance computing enables the data to be reviewed before the specimen is removed from the scanner - important for fragile specimens and weak decaying signals.

LacZ expressing cells (blue) in the developing mouse embryo brain. The surface of the neural ventricle (white) is shown for orientation.Access via the Grid to computing resources allows high resolution images to be captured in any laboratory. The Grid enables centralisation of resource with a corresponding expertise critical-mass.

Behavioural and genetic responses to gravity:Flies in SpaceJ. Douglas Armstrong

Behavioural and genetic responses to gravityIn flies, expression levels of 208 genes change in response to changes in gravity.About 70 mutant strains respond abnormally to gravity.The goal is to induce the relevant gene networks and understand how gravity affects them.It is inappropriate to assume these networks have a strictly linear response.

Where Next for e-InfrastructurePut people and teams firstThe creative forceThe repository of Experience, Skills and KnowledgeFocus on Major PrioritiesDeveloping well-defined Flexible AgreementsEmbraced as standardsHigh-level Software InvestmentApplications & Requirements ledExplore & Evolve Common & Shared InfrastructureRecognise and respond to differencesCelebrate and support commonalities

This shows the National Centre, 8 regional centres and 2 laboratories in blueThat is the original set up at the start of UK e-Science August 2001NeSC is jointly run by Edinburgh & Glasgow UniversitiesIn 2003 several smaller centres were added (vermilion)(1st call out) The e-Science Institute is run by the National e-Science Centre. It runs a programme of events and hosts visiting international researchers. It was established in 2001.The Open Middleware Infrastructure Institute was established in 2004, to provide support and direction for Grid middleware developed in the UK. It is based at the University of Southampton.The Grid Operations Centre will be established in 2004.(2nd call out) The Digital Curation Centre was established in 2004 by the Universities of Edinburgh and Glasgow, the UK Online Library Network at the University of Bath, and the Central Laboratories at Daresbury and Rutherford. Its job is to provide advice on curating scientific data and on preserving digital media, formats, and access software.(3rd call out) Edinburgh is one of the 4 founders of the Globus Alliance (Sept 2003) which will take responsibility for the future of the Globus Toolkit. The other founders are: Chicago University (Argonne National Lab), University of Southern California, Los Angeles (Information Sciences Institute) and the PDC, Stockholm, Sweden(4th call out) The EU EGEE project (Enabling Grids for E-Science in Europe) is establishing a common framework for Grids in Europe. The UK e-Science programme has several connections with EGEE. NeSC leads the training component for the whole of Europe.

The UK Grid was established by the Engineering Task Force, to connect the regional centres.Communications depend on the pre-installed 10Gbps Janet4. (Joint Academic NETwork).(1st callout) indicates that Edinburgh and Daresbury run the HPCx project running the most powerful academic computer in Europe. (2nd callout) shows the CSAR service run by Manchester(3nd & 4th callouts) shows the four dedicated Linux clusters that make up the National Grid Service dedicated machines with service level agreements that form the heart of the UK e-Science Grid