Welcome

Malcolm AtkinsonDirector

www.nesc.ac.uk

28th May 2004

What is e-Science?Invention and exploitation of advanced computational methods

to generate, curate and analyse research data From experiments, observations and simulations Quality management, preservation and reliable evidence

to develop and explore models and simulations

Computation and data at extreme scales Trustworthy, economic, timely and relevant results

to enable dynamic distributed virtual organisations

Facilitating collaboration with information and resource sharing Security, reliability, accountability, manageability and agility

The Primary Requirement …

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

NERC (£15M)7%

CLRC (£10M)5%

ESRC (£13.6M)6%

PPARC (£57.6M)27%

BBSRC (£18M)8%

MRC (£21.1M)10%

EPSRC (£77.7M)37%

Staff costs -Grid Resources

funded separately

Applied (£35M)45%

HPC (£11.5M)15%

Core (£31.2M)40%

EPSRC Breakdown

UK e-Science Budget (2001-2006)

Source: Science Budget 2003/4 – 2005/6, DTI(OST)

Total: £213M

+ Industrial Contributions

Globus Alliance

CeSC (Cambridge)

DigitalCurationCentre

e-Science Institute

Open Middleware

Infrastructure Institute

Grid Operations

Centre

?

The e-Science Centres

EGEE

CeSC (Cambridge)

The e-ScienceGrid

Engineering Task Force

(Contributions from e-Science

Centres)

Grid Support Centre / Grid Operations

Centre

OGSA Test Grid projects

HPC(x)

1600 x CPUAIX

64 x CPU4TB Disk

Linux

20 x CPU18TB Disk

Linux

512 x CPUIrix

Fundamental & Growing Assets

Understanding of Processes & RequirementsInternational and Multi-disciplinary Skill baseExperience composing & adapting existing technologies

and of building new components

Experience Supporting Developers and UsersExperience Establishing Virtual Organisations across Enterprise boundaries

Embedded in People & Teams, Growing – they need nurture

Relative Importance

What envelopes you put your messages in

How they are deliveredInfrastructure to organise a common technical platform – the foundations of communication

Relative Importance

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

What information you send in your messages

Their patterns of Use - sequences that mean somethingTheir ContentsThe Grammar and Vocabulary of CommunicationAgreed Interpretations

Relative ImportanceWhat envelopes you put your messages in

How they are deliveredInfrastructure to organise a common technical platform – the foundations of communication

What information you send in your messagesTheir patterns of Use - sequences that mean somethingTheir ContentsThe Grammar and Vocabulary of CommunicationAgreed Interpretations

What you do when you get a messageThe Application Code you ExecuteThe Middleware Services

Security, Privacy, Authorisation, Accounting, Registries, Brokers, …

Integration Services Multi-site Hierarchical Scheduling, Data Access & Integration, …

Portals, Workflow Systems, Virtual Data, Semantic GridsTools to support Application Developers, Users & Operations

Incremental deployment tools, diagnostic aids, performance monitoring, …

TechnicalExperts

Relative ImportanceWhat envelopes you put your messages in

How they are deliveredInfrastructure to organise a common technical platform – the foundations of communication

What information you send in your messagesTheir patterns of Use - sequences that mean somethingTheir ContentsThe Grammar and Vocabulary of CommunicationAgreed Interpretations

What you do when you get a messageThe Application Code you ExecuteThe Middleware Services

Security, Privacy, Authorisation, Accounting, Registries, Brokers, …

Integration Services Multi-site Hierarchical Scheduling, Data Access & Integration, …

Portals, Workflow Systems, Virtual Data, Semantic GridsTools to support Application Developers, Users & Operations

Creative Actions and Judgements of Researchers, Designers & Clinicians

Data, Models & AnalysesIn Silico Experiments, Design, Diagnosis & PlanningCreating the Scientific Record

DomainExperts

GW

GT3.2

Improved robustness, scalability, performance,

usability3.2

March

4.0 Q2

4.0Q3

4.2Q2 ‘05

Numerous new WSRF-based services

GT4.2

GT4.0

WSRF; some new functionality; further usability, performance enhancements

2004 2005

Not waiting for finalisationof WSRF specs.Use as submitted

GT & WSRF TimelineOASISGGF10 interopTC1techPre

Components in GT 3.2

GSI

WS-Security

CAS(OGSI)

SimpleCA

SecurityData

Management

RFT(OGSI)

RLS

OGSA-DAI

WU GridFTP

XIO

Information Services

MDS2

WS-Index(OGSI)

Resource Managemen

t

Pre-WSGRAM

WS GRAM(OGSI)

WSCore

JAVAWS Core(OGSI)

OGSI C Bindings

OGSI Python Bindings

(contributed)

pyGlobus(contributed)

Planned Components in GT 4.0

GSI

WS-Security

CAS(WSRF)

SimpleCA

Security

Authz Framework

Data Managemen

t

RFT(WSRF)

RLS

OGSA-DAI

New GridFTP

XIO

WSCore

JAVAWS Core(WSRF)

C WS Core(WSRF)

Information Services

MDS2

WS-Index(WSRF)

Resource Managemen

t

Pre-WSGRAM

WS-GRAM(WSRF)

CSF(contribution)

pyGlobus(contributed)

Importance of collaboration: VDT

A highly successful collaborative effortVDT Working GroupVDS (Chimera/Pegasus) team

Provides the “V” in VDT

Condor TeamGlobus AllianceNMI Build and Test team EDG/LCG/EGEE

Middleware, testing, patches, feedback …

PPDG Hardening and testing

Pacman Provides easy installation capability Currently Pacman 2, moving to Pacman 3 soon

Used by many projectsSystematic testingRich integration of

componentsThe UK should be part of

this – exploit test bedcontribute components

Thanks to Miron Livny

Some bioinformatics sites

http://www.ntrac.org.uk/NetworkCentres/Edinburgh/Edinburgh.asp

http://www.gti.ed.ac.uk/Linking genomic and proteomic data

http://genex.hgu.mrc.ac.uk/Interesting atlas for organising collections of gene expression data

Biology & MedicineExtensive Research Community

>1000 at Glasgow University

Extensive ApplicationsMany people care about them

Health, Food, Environment

Interacts 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.

DataCapture

3DReconstruction

DataMapping

Analysis

3-Channel fluorescent imaging:

12 day mouse embryoGreen - developing nervous tissueBlue - gut and other organsRed - ventricles of the heart

Access 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 Space

J. Douglas Armstrong

Behavioural and genetic responses to gravity

In 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-Infrastructure

Put people and teams firstThe creative forceThe repository of Experience, Skills and Knowledge

Focus on Major PrioritiesDeveloping well-defined Flexible Agreements

Embraced as standards

High-level Software Investment Applications & Requirements led

Explore & Evolve Common & Shared Infrastructure

Recognise and respond to differencesCelebrate and support commonalities