Dr. Huai Jinpeng (Vice President, Beihang University) Visit to NeSC Malcolm Atkinson Director 10 th...

Dr. Huai Jinpeng (Vice President,

Beihang University)Visit to NeSC

Malcolm AtkinsonDirector

www.nesc.ac.uk

10th May 2004

Outline

The National e-Science Centre Role and missionThe e-Science Institute

The UK e-Science ProgrammeFunding and organisationThe UK GridThe European dimensionTechnical Options

The Essence of e-Science

NeSC Roles

Help coordinate and lead UK e-ScienceCommunity building, training & outreach

Help establish the UK’s international roleThe focus for presenting UK e-Science

Run the e-Science InstituteA meeting placeWorkshops and conferencesResearch visitors and events

Undertake R&D projectsReliable middleware (OGSA-DAI, SunDCG, …)Engage industry (IBM, Sun, Microsoft, HP, Oracle, …)Stimulate the uptake of e-Science technology

Training Team

The Primary Requirement …

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

Events Held(from 1 Aug 2002 to 29 Feb 2004 – 31

months)We have run 197 events (just over 6 per

month):3 conferences (including GGF5 with 900 participants)20 project meetings 23 research meetings 61 workshops 4 schools32 training sessions27 outreach events9 international meetings18 e-Science management meetings

(though the definitions are fuzzy!)

16,444 delegate days197 events6,825 delegates 339 event days

The Website – a ResourceNational e-Science Centre http://www.nesc.ac.uk/

Mission, Background, Foundation, Locations, Staff, Resources, ProjectsRegister interest, Mailing lists, NeSCForgeRegional associations and CollaborationsNews, NoticesPresentations and Lectures http://www.nesc.ac.uk/presentations/

National e-Science Institute http://www.nesc.ac.uk/esi/

Mission, Events (Future and Past)Register for Events, Visitor Programme, GridNet

UK e-ScienceMap and Index of Centres http://www.nesc.ac.uk/centres/Technical Papers http://www.nesc.ac.uk/technical_papers/Index of >100 Projects http://www.nesc.ac.uk/projects/Task Forces http://www.nesc.ac.uk/teams/

General InformationGlossary, Bibliography, Who’s who

Widely used by UK, USA and the rest of the worldComprehensive and Growing Source of Information

Outline


The UK e-Science ProgrammeFunding and organisationThe UK GridThe European dimensionTechnical Options


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

Digital Curation Centre

Industry

research collaborators

standards bodies

testbeds& tools

communities of practice:

users

community support & outreach

research

development

servicesmanagement

& co-ordination

curation organisations

Collaborative Associates Network of DataOrganisations

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

Access Grid

Microphones

Cameras

Requires IP multicast

throughout the network

Crucial for management

meetings

Some UK e-Health Projects

eDIaMoND (with IBM and Mirada)Breast Cancer Project

IXI (with GSK and Philips Medical)Information from medical images

MIAS DevicesMobile sensors for healthcare

CLEFIntegrating medical information

eDiaMoND – Compute

Mammograms have different appearances, depending on image settings and acquisition systems

StandardMammoFormat

StandardMammoFormat

Temporal mammography

ComputerAidedDetection

3D View

EpidemiologyEpidemiology

TeachingTeaching

DiagnosisDiagnosis

ScreeningScreening


TeachingTeaching

DiagnosisDiagnosis

ScreeningScreening

eDiaMoND – Non-Functional

Grid

EthicsEthics

LegalLegal

SecuritySecurity

PerformancePerformance

ManageabilityManageability

…………

ScalabilityScalability

AuditabilityAuditabilityEpidemiologyEpidemiology

TeachingTeaching

DiagnosisDiagnosis

ScreeningScreening


TrainingTraining

ScreeningScreening

AnonymisationAnonymisation

256MB & 5 secs response

256MB & 5 secs response

Lossless CompressionLossless Compression

EncryptionEncryption

~100 Centres~100 Centres

Systems AdministrationSystems Administration

Non-RepudiationNon-Repudiation

KCL, Imperial and Oxfordhttp://www.ixi.org.uk

Automatic registration technology

Rigid registration of MR and CT imagesof the head

Inter-subject image warping

MIAS Devices Project

Easy Plug and Play of SensorsWireless connection using 802.11Positioning information from GPSMobile medical technologies on a distributed Grid

Sensor bus

GPS ariel

The European dimension

EGEE: Enabling Grids for E-Science in Europe

… and beyond32M Euro, 10 regions, 70 partnersAdditional funding from NSF (USA)50% production, 30% development, and 20% dissemination and training

“The Grid Infrastructure in Europe”Deploy a production Grid across EuropeInitially based on LHC Computing Grid

Grids for medical development

Preparation and follow-up of medical missions in developing countries

Support to local medical centres in terms of second diagnosis, patient follow-up and e-learning

2 missions (Ibagué & Chuxiong) with the french NPO « Chaîne de l’Espoir » used as test cases

IbaguéHand surgery Medical centre

Clermont-Ferrand/Paris

Chuxiong

Examples of HealthGRID applications

The grid impact :

•Improved telemedecine services

• Federation of patient databases

•Interactive e-learning (high bandwidth network required)

Request for

second diagnosis

Patient d

ata

consultatio

n

Second diagnostic

Patient follow-up

Patient dataRequest for

2nd diagnostic

Interactiv

e e-learn

ing

Video-conferences

DataGrid : status of biomedical

applications

Bio-informaticsPhylogenetics : BBE Lyon (T. Sylvestre)Search for primers : Centrale Paris (K. Kurata)Bio-informatics web portal : IBCP (C. Blanchet)Parasitology : LBP Clermont, Univ B. Pascal (N. Jacq)Data-mining on DNA chips : Karolinska (R. Médina, R. Martinez)Geometrical protein comparison : Univ. Padova (C. Ferrari)

Medical imagingMR image simulation : CREATIS (H. Benoit-Cattin)Medical data and metadata management : CREATIS (J. Montagnat)Mammographies analysis ERIC/Lyon 2 (S. Miguet, T. Tweed)Simulation platform for PET/SPECT based on Geant4 : GATE collaboration (L. Maigne) 0

20

40

60

80

100

120

140

160

180

Parallelisation

Tem

ps

en m

inu

tes

Local_Monopro1500MHzX10X20X50X100

deployedtested on EDGunder preparation

GATE Monte-Carlo simulation platform for nuclear medecine

eHealtheScience

EGEE - NA3 Challenges

Building an Integrated training team

Developing training material and delivery platforms

Attracting enough potential users

Converting enough of them to successful EGEE users

Sustaining both high quality and high volume training

Achieving and delivering advanced skills & knowledge

EGEE - NA3 PartnersNeSC

EdinburghUK & Ireland

GUPLinz

Austria

InnsbruckAustria

CESNETPrague

Czech Rep.

BUTEBudapestHungary

ELUBBudapestHungary

MTA SZTAKIBudapestHungary

ICMWarsawPoland

PSNCPoznanPoland

II-SASBratislavaSlovakia

FZKKarlsruheGermany

INFNRomeItaly

KU-NATFAK Copenhagen

Denmark

IHEPMoscowRussia

IMPB RASMoscowRussia

ITEPMoscowRussia

JINRDubnaRussia

PNPIPetersburgh

Russia

RRCKIMoscowRussia

GRNETAthensGreece

TAUTel Aviv

Isreal

ICIBucharestRomania

e-Infrastructure Issues

Discussion of Technical options

OGSI & GT3 investment

Three forms of investment Architectural effort

OGSA: Use cases, Design Patterns, …Factoring & describing a complex engineering domain

Standardisation effortOGSI, DAIS, WS-Agreement, etc.WSDL 2.0, WSDM, WS-Security, etc.

Implementation effortCombined OGSI & Grid component work

Thisinvestment

carriesforward

intoWSRF

Grid

Web

•Several (some partial) implementations•Issues: technical, political & commercial•Successes: a number of operational grids

Started far apart in apps & tech

OGSI

GT2

GT1

HTTPWSDL,

WS-*

WSDL 2,

WSDM

Have beenconverging ?

CombiningGrid and Web Services –

First tryTechnology intercept

is not easy

People acceptedOGSI

Not the onlypossibletechnicalsolution

CombiningGrid and Web Services:

Second tryGrid

Web

WSRF

Started far apart in apps & tech

OGSI

GT2

GT1

HTTPWSDL,

WS-*

WSDL 2,

WSDM

Have beenconverging

Support from major WS vendorsespecially service management suppliers

e.g., CA, HP, IBM, Fujitsu, BEA, SAP, …

Technology interceptis still not easy

Core Ideas in WSRF

Preserves OGSI functionalityLifetime, properties, notification, error types, …

Separates service from resourceService is static and statelessResource is dynamic and stateful

Builds on WS-AddressingIs WS-I compliant

But note that WS-I alone doesn’t make the problems go away, still need to worry about how to manage lifetime, naming, state, …

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 effort

VDT 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

Conclusions

WSRFGood enough for recurrent platform requirementsHas significant commercial and technical momentumImproves engagement with industryOnly sensible flag to rally behind

Must collaborate internationallyScale of challenge & international virtual organisations

Discourage localised alternativesAvoid effort fragmentation and unnecessary arguments

Coping well with transitions …Is a primary Darwinian selector!

Outline


The UK e-Science ProgrammeFunding and organisationThe UK GridThe European dimension


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

e-Science >> Grid & Web Services It is what you do with them that counts

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

Primary Multi-Enterprise Issues

Combining subsystems built independently in different enterprisesDeploying, Starting and Managing Applications and Production Operations

Using a set of combined facilitiesIndependently builtAutonomously managed

Developing software independentlyExpecting to integrate later

All for VO communities that retain independence

Assume Benefits of Shared Infrastructure:How much?One size fits all?

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


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


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

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

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