E-Science: Achievements, Challenges and new Opportunities Fifth UK e-Science All Hands Meeting Malcolm Atkinson Director e-Science Institute & e-Science.

E-Science: Achievements, Challenges and new Opportunities

Fifth UK e-Science All Hands Meeting

Malcolm Atkinson

Director e-Science Institute & e-Science Envoy

www.nesc.ac.uk19th September 2006

Overview

Celebrate Five Years of SuccessThree Great Strengths Established

Welcome New ProjectsOpportunities

Work togetherShape e-Science & e-Infrastructure

E-Science: Systematic Support for Collaborative Research

Multi-disciplinary, Multi-Site & Multi-NationalAll disciplines contribute & benefitEnabling wider engagementBuilding with advances in Computing Science

UK e-Science Success

Thriving CommunityAll disciplines & all Research CouncilsIndustry & AcademiaMany universities & research institutesUK e-Science All Hands MeetingsProductive collaboration

Essential Collaboration

CollaborationRequires Commitment and StrategyA challenge to build and maintainWe have done it repeatedlyCan we capture and clone the recipes?Can we support it well for all research?

New Patterns of Communication

6th September 2006 5

National Centre for e-Social Science

ColchesterColchester

University of EssexUniversity of Essex

LancasterLancaster

BristolBristol

LeedsLeeds

University of ManchesterUniversity of Manchester

ManchesterManchester

NottinghamNottingham

LondonLondon

OxfordOxford

AberdeenAberdeen

+2 years


EdinburghEdinburgh

+5 years

Collaboration Pioneer

Professor Dan Atkins

Director of the Office of Shared Cyberinfrastructure, NSF

The NSF vision of Cyberinfrastructure supporting e-Research, e-learning and engagement

09:00 Wednesday

Archaeology & e-Science

Professor Michael Fulford

Archaeology, University of Reading

Silchester Roman Town: the challenges, aspirations and experience of developing a VRE for Archaeology

9:45 Wednesday


Significant outputs from projectsResearch resultsCommercial impactOutreach and international influence

The NERC Success

Professor Robert GurneyDirector, Environmental Systems Science Centre, Reading

The NERC e-Science experience On next!


Predicting Climate ChangeThrough Volunteer Computing

University of Oxford

Department of Atmospheric Physics

climateprediction.net

6th September 2006

climateprediction.net Users Worldwide>300,000 users total (90% MS Windows): >60,000 active~17 million model-years simulated (as of September '06)

~180,000 completed simulations

The world's largest climate modelling supercomputer!(NB: a black dot is one or more computers running climateprediction.net)

› Construct in silico experiments, find and adapt others, manage the experiment lifecycle

› Taverna Workflow workbench› OGSA-DQP› Semantic Technologies› Williams-Beuren Syndrome,

Grave’s Disease, Trypanosomiasis in cattle.

› OMII-UK Node, GRIMOIRE Registry, Taverna Workflow workbench

› 12000+ Downloads of Taverna› Wide transfer to BBSRC (e-Fungi,

ISPIDER, ComparaGrid) & MRC projects (PsyGrid, CLEF, CLEFS)

› Semantic Grid pioneer› WBS gene identification› Outstanding international links› Great deal of open source s/w› Links into BOSC & HGMP› KT to BT, ComparaGrid, OntoGrid,

BBSRC Systems Biology Centre, MIASGrid, Rice Institute etc

• Carole Goble (Comp Sci, Manchester)• 7 Universities and institutes (incl. EBI)• 8 Companies

Middleware for data intensive in silico biology by bioinformaticians

In silico biology http://www.mygrid.org.uk

› Design, develop and implement an advanced infrastructure to support real-time processing, interpretation, integration, visualization and mining of vast amounts of time critical data generated by high throughput devices.

› Data mining, text mining› Environmental monitoring,

bioinformatics

› InforSense, GSK, Oracle› 2003: Discovery Net in Action:

Fighting SARS in China › 2002: Supercomputing 2002

Most Innovative Data Intensive Application Award

› 2002: KDD CUP 2002 Scientific Text Mining Awards

Yike Guo (Comp Sci, Imperial)•1 university

http://www.discovery-on-the.net/

Using GRID Resources

ScientificInformationScientific

InformationScientific Discover

y

In Real Time

Literature

Literature

Databases

Databases

OperationalData

OperationalData

ImagesImages

InstrumentData

InstrumentData

Real Time Data

Integration

Dynamic ApplicationIntegration

Discovery Services

Integrative Knowledge Management

Service Workflow

High Throughput Informatics

UK-China e-Science Workshop, China

SIMDAT SIMDAT

Workflow Warehousing and Semantic Authoring

DAME http://www.cs.york.ac.uk/dame/

› Aims to manage >1Tb per year of Aero Engine vibration and maintenance data.

› Interlinks with search and reasoning services.

› Defined and evaluated a distributed search system.

› GSI enabled secure engine performance simulation

› CBR advisor for diagnostic engineer› A data architecture defined based

on Globus and SRB.

› BROADEN DTI Project (£3.9M)› Spun out technology exploited

through Cybula Ltd., Oxford Biosignals and DS&S.

› Successful mid-term demonstrator well received by Rolls Royce

› White Rose Grid: experience of building & using production Grids

› In Grid Blue Print 2 edition 2

• Jim Austin (Comp Sci, York)• 4 Universities and institutes• 3 Companies

Aircraft healthcare diagnosis


Reliable e-Infrastructure 24*7Foundations well establishedExtending in Function, Scale & UbiquityNGSE-Science CentresSpecialised support centres

AHRC Support @ Kings, Text Mining, 2*NERC centres, NCeSS

Data ServicesOMII-UKE-Science InstituteDCCJISC Virtual Research EnvironmentsJISC e-Framework


Edinburgh

CardiffCardiff

BristolBristol

LancasterLancaster

WestminsterWestminster

National Grid Service and partners

EdinburghEdinburgh

YorkYorkManchesterManchester

DidcotDidcot

CCLRC RutherfordAppleton LaboratoryCCLRC RutherfordAppleton Laboratory

+2.5 years

UK e-Infrastructure

LHC

I SI S TS2

HPCx + HECtoR

Users get common access, tools, inf ormation, Nationally supported services, through NGS

I ntegratedinternationally

VRE, VLE, IE

Regional and Campus grids

Community Grids


Number of Registered NGS Users

0

50

100

150

200

250

300

14 January2004

23 April2004

01 August2004

09November

2004

17February

2005

28 May2005

05September

2005

14December

2005

Date

Nu

mb

er o

f U

sers

NGS UserRegistrations

Linear (NGS UserRegistrations)

NGS UseUsage Statistics (Total Hours for all 4 Core Nodes)

0

50000

100000

150000

200000

250000

12 34 56 789101112131415161718192021222324252627282930313233343536373839404142434445464748495051525354555657585960616263646566676869707172737475767778798081828384858687888990919293949596979899100

10110

210

310

410

510

610

710

810

911

011

111

211

311

411

511

611

711

811

912

012

112

212

312

412

512

612

712

812

913

013

113

213

313

413

513

613

7

Users (Anonymous)

Hours User DN

Total

0

5

10

15

20

25

30

35

40

45

50

O=

univ

ersi

teit-

utre

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OU

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BS

RC

OU

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irmin

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OU

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OU

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OU

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OU

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Count of OU=

OU=

Total

0

20

40

60

80

100

120

140

160

bbsrc cclrc epsrc nerc pparc AHRC mrc esrc

Count of "RC"

"RC"

Files stored

Users by institution

CPU time by user

Users by discipline

biol

ogy

Larg

e fa

cilit

ies

Eng

. +

Phy

s. S

ci

Env

. S

ci

PP

+ A

stro

nom

y

Med

icin

e

Hum

ani

ties

Soc

iolo

gy

~400 users


Applications: 2

Systems Biology

H. Woo et al, Phys Rev B 72 064437 (2005)

Example: La2-xSrxNiO4

Neutron Scattering

Climate modelling

Econometric analysis

JISC e-Infrastructure & Projects

Professor Dave De Roure

Head of Grid and Pervasive Computing in the School of Electronics and Computer Science, University of Southampton

e-Research the JISC way

14:30 Thursday


OxfordOxford

NeSCNeSC

BelfastBelfast

CambridgeCambridgeDaresburyDaresbury


LondonLondon

NewcastleNewcastle

SouthamptonSouthampton

CardiffCardiff

e-Science Centrese-Science Centres

RALRAL

LeicesterLeicester

LondonLondon

BirminghamBirmingham

YorkYork

BristolBristol

LancasterLancaster

ReadingReading

Centres of ExcellenceCentres of Excellence

Access GridSupport CentreAccess GridSupport Centre

Other CentresOther Centres

Digital Curation CentreDigital Curation Centre

National GridService

National GridService

National Centre fore-Social Science

National Centre fore-Social Science

National Centre forText Mining

National Centre forText Mining

National Institute forEnvironmental e-Science

National Institute forEnvironmental e-Science

Open MiddlewareInfrastructure Institute

Open MiddlewareInfrastructure Institute+ ~2 years

e-Science Centres in the UK Coordination & Leadership:NeSC & e-Science

Directors’ Forum


OMII-UK nodes

EdinburghEdinburgh

EPCC & National e-Science CentreEPCC & National e-Science Centre


School of Computer ScienceUniversity of Manchester

School of Computer ScienceUniversity of Manchester

SouthamptonSouthampton

School of Electronics andComputer Science

University of Southampton

School of Electronics andComputer Science

University of Southampton

+3 years


Software• Provide guidance to the broad UK e-Science community• Disseminate your e-Science software to a global communitySupport• Software support and training in using e-Science software• Provide collaborative mechanisms to support the community• Define, contribute and disseminate best practice and standardsSustainability• Provide a best of breed software solution• Partner to provide a sustainable future.

‘software and support to enable a sustained future for the UK e-Science community and its international collaborators’


Visit the OMII-UK stand…

• Tell us about the software you use or produce– Register it on the website and get a travel mug!

• Tell us about the e-Science you do now and what you would like to do in the future– Complete our on-line or paper survey

• See demonstrations of OMII-UK software– Job execution, scheduling and service discovery– Workflow between different data sources– Data querying, federation and transformation

For more information see www.omii.ac.uk/AHM2006


Digital Curation Centre and partners

GlasgowGlasgow

Humanities Advanced Technology and Information Institute

Humanities Advanced Technology and Information Institute

BathBathUKOLN (formerly UK Office

for Library Networking) UKOLN (formerly UK Office

for Library Networking)

WarringtonWarrington

DidcotDidcot

Rutherford Appleton (Didcot) and Daresbury (Warrington)

Laboratories

Rutherford Appleton (Didcot) and Daresbury (Warrington)

Laboratories

EdinburghEdinburgh

Database Research Group, School of Informatics

AHRC Research Centre for Studies in Intellectual Property

and Technology LawEDINA

National e-Science Centre

Database Research Group, School of Informatics

AHRC Research Centre for Studies in Intellectual Property

and Technology LawEDINA

National e-Science Centre

+3 years?

a centre of expertise in data curation and preservation

Digital Curation Centre• Mission: “… support and promote continuing

improvement in the quality of data curation…”• Vision

• Centre of excellence in digital curation• Authoritative source of advocacy & advice• Key facilitator of informed research community• Provider of range of resources, tools & services

a centre of expertise in data curation and preservation

Welcome New Projects

Three EPSRC new projectsCARMEN

Understanding the brain – £4.5m – led by Professor Colin Ingram, University of Newcastle upon Tyne

NanoCMOSGrid Designing nano-circuits – £5.2m – led by Professor Asen

Asenov at Glasgow University

PMESG (Pervasive Mobile Environmental Sensor Grids) project

Environmental impact of traffic Jointly funded with the Department for Transport the

Department for Transport £3.5m – led by Professor John Polak at Imperial College

Slide 34

CARMEN - Scales of Integration

resolving the ‘neural code’ from the timing of action potential activity

determining ion channel contribution to the timing of action potentials

examining integration within networks of differing dimensions

Understanding the brain may be the greatest

informatics challenge of the 21st century

16th March 2006

NanoCMOSgriD Meeting the Design Challenges of Nano-CMOS Electronics

The ChallengeThe Challenge

6th September 2006

International Tech nology Roadmap for Semiconductors Year 2005 2010 2015 2020

MPU Half Pitch (nm) 90 45 25 14

MPU Gate Length (nm) 32 18 10 6

2005 edition Toshiba 04

Device diversification

90nm: HP, LOP, LSTP

45nm: UTB SOI

32nm: Double gate

25 nm

Bulk MOSFET

FD SOI

UTB SOI

FinFET

HP(MPU)

LOP

LSTP

Stat.Sets

230 nm

Bulk MOSFET

Standard

SingleSet

Opportunities

Shape Future e-InfrastructureBalance international & local requirementsEmbrace diversity & maintain consistencyIntegrate effort & resources

Exploit e-Science methodsTo do new researchUsing e-Infrastructure

Embed in Educational ProgrammesCreativity & energy of the young

Engage Industry & Commerce

Vision for Future Science

Dr Stephen EmmottDirector European Science Programme, Microsoft Research

Some brief notes on Science towards 2020

16:15 Wednesday

Start now

Talk to new peopleInitiate new collaborationsEnjoy talks & workshopsVisit all the BoothsSee all the postersWin all the competitions

in the closing ceremony

Thanks to:Those who made UK e-Science happen.Carole Goble, Neil Geddes, Steven Newhouse, Jo Newman & Chris Rusbridge for slides.Alison McCall & Carole Becker for pictures.

E-Science: Achievements, Challenges and new Opportunities Fifth UK e-Science All Hands Meeting Malcolm Atkinson Director e-Science Institute & e-Science.

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