Dr. Huai Jinpeng (Vice President, Beihang University) Visit to NeSC Malcolm Atkinson Director 10 th May 2004

Outline The National e-Science Centre Role and mission The e-Science Institute The UK e-Science Programme Funding and organisation The UK Grid The European dimension Technical Options The Essence of e-Science

NeSC Roles Help coordinate and lead UK e-Science Community building, training & outreach Help establish the UK’s international role The focus for presenting UK e-Science Run the e-Science Institute A meeting place Workshops and conferences Research visitors and events Undertake R&D projects Reliable 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 schools 32 training sessions 27 outreach events 9 international meetings 18 e-Science management meetings (though the definitions are fuzzy!) 16,444 delegate days 197 events 6,825 delegates 339 event days

The Website – a Resource National e-Science Centre Mission, Background, Foundation, Locations, Staff, Resources, Projects Register interest, Mailing lists, NeSCForge Regional associations and Collaborations News, Notices Presentations and Lectures National e-Science Institute Mission, Events (Future and Past) Register for Events, Visitor Programme, GridNet UK e-Science Map and Index of Centres Technical Papers Index of >100 Projects Task Forces General Information Glossary, Bibliography, Who’s who Widely used by UK, USA and the rest of the worldComprehensive and Growing Source of Information

Web site Statistics Since going ‘live’ in 2001 to 31 Jan 2004 (figures in last week to 27 Feb 2004) > 3.0 million successful requests (‘hits’) transferring 166 gigabytes of data (2.20 GB) Average hits per day 3237 (5430) Distinct files served 18,980 (2821) … to 96,610 (3705) distinct hosts Average data transferred per day 182 MB (typical file size about 100 kB) (322 MB)

Web site Statistics 2

Technical Reports The Virtual Observatory as a Data Grid, Bob Mann, Sep 03 UK Experience with OGSA, Dave Berry, Sep 03 e-Science Gap Analysis, Geoffrey Fox, David Walker, Jun 03 Scientific Data Mining, Integration and Visualisation, Bob Mann, Roy Williams, Malcolm Atkinson, Ken Brodlie, Amos Storkey, Chris Williams, Nov 02 A Rough Guide to Grid Security, Mike Surridge, Sep 02 Multi-Site Videoconferencing for the UK e-Science Programme, Stephen Booth, John Brooke, Kate Caldwell, Liz Carver, Michael Daw, David De Roure, Alan Flavell, Philippe Galvez, Brian Gilmore, Henry Hughes, Ben Juby, Ivan Judson, Jim Miller, Harvey Newman, Chris Osland, Sue Rogers, Oct 02 Database Access and Integration Services on the Grid, Norman W Paton, Malcolm P Atkinson, Vijay Dialani, Dave Pearson, Tony Storey, Paul Watson, Feb 02 Research Agenda for the Semantic Grid: A Future e-Science Infrastructure, David De Roure, Nicholas Jennings, Nigel Shadbolt, Dec 01 Databases and the Grid, Paul Watson, Dec 01

Technical Reports A Grid Application Framework based on Web Services Specifications and Practices, Savas Parastatidis, Jim Webber, Paul Watson, Thomas Rischbeck, Aug 03 Grid Information Systems 2003 (Draft), Rob Allan, Dharmesh Chohan, Xiao Dong Wang, Andy Richards, Mark McKeown, John Colgrave, Matthew Dovey, Mark Baker, Steve Fisher, Dec 03 Towards tractable toolkits for the Grid: a plea for lightweight, usable middleware, Jonathan Chin, Peter Coveney, Feb 04 Portals and Portlets 2003, Rob Allan, Chris Awre, Mark Baker, Adrian Fish, Mar 04 IMAGE 03: Images, Medical Analysis and Grid Environments, Dave Berry, Derek Hill, Steve Pieper, Joel Saltz, Cécile Germain-Renaud, Mar 04 Open Issues in Grid Scheduling, Alain Andrieux, Dave Berry, Jon Garibaldi, Stephen Jarvis, Djamila Ouelhadj, Mar 04 Data Provenance and Annotation, Peter Buneman, Michael Wilde. e-Science Workflow Services, Matthew Addis, Dave Berry, Earl Ecklund, Carole Goble

Outline The National e-Science Centre Role and mission The e-Science Institute The UK e-Science Programme Funding and organisation The UK Grid The European dimension Technical Options The Essence of e-Science

Staff costs - Grid Resources funded separately EPSRC Breakdown UK e-Science Budget ( ) Source: Science Budget 2003/4 – 2005/6, DTI(OST) Total: £213M + Industrial Contributions

Globus Alliance CeSC (Cambridge) Digital Curation Centre 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 services management & co- ordination curation organisations Collaborative Associates Network of Data Organisations

Task Forces Directors’ Forum Helped build a community Engineering Task Force Built the UK Grid Architecture Task Force UK Adoption of OGSA OGSA Grid Market Future approaches Security Task Force Database Task Force (now disbanded) OGSA-DAI ( GGF DAIS-WG Usability Task Force

CeSC (Cambridge) The e-Science Grid Engineering Task Force (Contributions from e-Science Centres) Grid Support Centre / Grid Operations Centre OGSA Test Grid projects HPC(x) 1600 x CPU AIX 64 x CPU 4TB Disk Linux 20 x CPU 18TB Disk Linux 512 x CPU Irix

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 Devices Mobile sensors for healthcare CLEF Integrating medical information

eDiaMoND – Compute Mammograms have different appearances, depending on image settings and acquisition systems Standard Mammo Format Standard Mammo Format Temporal mammography Computer Aided Detection 3D View

Epidemiology Teaching Diagnosis Screening Epidemiology Teaching Diagnosis Screening eDiaMoND – Non-Functional Grid Ethics Legal Security Performance Manageability …… Scalability Auditability Epidemiology Teaching Diagnosis Screening Epidemiology Training Screening Anonymisation 256MB & 5 secs response Lossless Compression Encryption ~100 Centres Systems Administration Non-Repudiation

KCL, Imperial and Oxford

Automatic registration technology Rigid registration of MR and CT images of the head Inter-subject image warping

Need high quality, integrated clinical information for: clinical research evidence-based health care the clinical application of genetic and genomic research The capture, integration, and presentation of descriptive information is a major barrier to achieving an integrated framework Data includes: clinical histories radiology and pathology reports annotations on genomic and image databases technical literature and Web based resources CLEF - Integrating information

MIAS Devices Project Easy Plug and Play of Sensors Wireless connection using Positioning information from GPS Mobile medical technologies on a distributed Grid Sensor bus GPS ariel

The European dimension EGEE: Enabling Grids for E-Science in Europe … and beyond 32M Euro, 10 regions, 70 partners Additional funding from NSF (USA) 50% production, 30% development, and 20% dissemination and training “The Grid Infrastructure in Europe” Deploy a production Grid across Europe Initially 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 Ibagué Hand 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 data consultation Second diagnostic Patient follow-up Patient data Request for 2nd diagnostic Interactive e-learning Video-conferences

DataGrid : status of biomedical applications Bio-informatics Phylogenetics : 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. M é dina, R. Martinez) Geometrical protein comparison : Univ. Padova (C. Ferrari) Medical imaging MR 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) deployed tested on EDG under preparation GATE Monte- Carlo simulation platform for nuclear medecine eHealth eScience

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 Partners NeSC Edinburgh UK & Ireland GUP Linz Austria Innsbruck Austria CESNET Prague Czech Rep. BUTE Budapest Hungary ELUB Budapest Hungary MTA SZTAKI Budapest Hungary ICM Warsaw Poland PSNC Poznan Poland II-SAS Bratislava Slovakia FZK Karlsruhe Germany INFN Rome Italy KU-NATFAK Copenhagen Denmark IHEP Moscow Russia IMPB RAS Moscow Russia ITEP Moscow Russia JINR Dubna Russia PNPI Petersburgh Russia RRCKI Moscow Russia GRNET Athens Greece TAU Tel Aviv Isreal ICI Bucharest Romania

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 effort OGSI, DAIS, WS-Agreement, etc. WSDL 2.0, WSDM, WS-Security, etc. Implementation effort Combined OGSI & Grid component work This investment carries forward into WSRF

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 HTTP WSDL, WS-* WSDL 2, WSDM Have been converging ? Combining Grid and Web Services – First try Technology intercept is not easy People accepted OGSI

Not the only possible technical solution Combining Grid and Web Services: Second try Grid Web WSRF Started far apart in apps & tech OGSI GT2 GT1 HTTP WSDL, WS-* WSDL 2, WSDM Have been converging Support from major WS vendors especially service management suppliers e.g., CA, HP, IBM, Fujitsu, BEA, SAP, … Technology intercept is still not easy

Core Ideas in WSRF Preserves OGSI functionality Lifetime, properties, notification, error types, … Separates service from resource Service is static and stateless Resource is dynamic and stateful Builds on WS-Addressing Is 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, …

“Components” of WSRF WS-AddressingMarch 04 www-106.ibm.com/developerworks/library/specification/ws-add/ WSRF White paper on modelling stateful resources WS-ResourceLifetimeMarch 04 WS-ResourcePropertiesMarch 04 WS-BaseFaultsMarch 04 WS-RenewableReferences March 04 WS-ServiceGroupMarch 04 WS-Notification WS-BaseNotificationMarch 04 …/specification/ws-notification/ WS-TopicsMarch 04 …/specification/ws-topics/ WS-BrokeredNotification March 04 …/specification/ws-pubsub/

From OGSI to WSRF: Refactoring and Evolution OGSIWSRF Grid Service ReferenceWS-Addressing Endpoint Reference Grid Service HandleWS-Addressing Endpoint Reference HandleResolver portTypeWS-RenewableReferences Service data defn & accessWS-ResourceProperties GridService lifetime mgmtWS-ResourceLifetime Notification portTypesWS-Notification Factory portTypeTreated as a pattern ServiceGroup portTypesWS-ServiceGroup Base fault typeWS-BaseFaults Identity & naming is being done by OGSA

GW GT3.2 Improved robustness, scalability, performance, usability 3.2 March 4.0  Q2 4.0 Q3 4.2 Q2 ‘05 Numerous new WSRF-based services GT4.2 GT4.0 WSRF; some new functionality; further usability, performance enhancements Not waiting for finalisation of WSRF specs. Use as submitted GT & WSRF Timeline OASISGGF10interopTC 1 techPre

Components in GT 3.0 GSI WS-Security Security WS Core Resource Management Data Management RFT (OGSI) RLS WU GridFTP JAVA WS Core (OGSI) OGSI C Bindings Information Services MDS2 WS-Index (OGSI) Pre-WS GRAM WS GRAM (OGSI)

Components in GT 3.2 GSI WS-Security CAS (OGSI) SimpleCA Security Data Management RFT (OGSI) RLS OGSA-DAI WU GridFTP XIO Information Services MDS2 WS-Index (OGSI) Resource Management Pre-WS GRAM WS GRAM (OGSI) WS Core JAVA WS 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 Management RFT (WSRF) RLS OGSA-DAI New GridFTP XIO WS Core JAVA WS Core (WSRF) C WS Core (WSRF) Information Services MDS2 WS-Index (WSRF) Resource Management Pre-WS GRAM WS-GRAM (WSRF) CSF (contribution) pyGlobus (contributed)

Importance of collaboration: VDT A highly successful collaborative effort VDT Working Group VDS (Chimera/Pegasus) team  Provides the “V” in VDT Condor Team Globus Alliance NMI 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 projects Systematic testing Rich integration of components The UK should be part of this – exploit test bed contribute components Thanks to Miron Livny

Conclusions WSRF Good enough for recurrent platform requirements Has significant commercial and technical momentum Improves engagement with industry Only sensible flag to rally behind Must collaborate internationally Scale of challenge & international virtual organisations Discourage localised alternatives Avoid effort fragmentation and unnecessary arguments Coping well with transitions … Is a primary Darwinian selector!

Outline The National e-Science Centre Role and mission The e-Science Institute The UK e-Science Programme Funding and organisation The UK Grid The European dimension The Essence of e-Science

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 & Requirements International and Multi-disciplinary Skill base Experience composing & adapting existing technologies and of building new components Experience Supporting Developers and Users Experience Establishing Virtual Organisations across Enterprise boundaries Embedded in People & Teams, Growing – they need nurture

Primary Multi-Enterprise Issues Combining subsystems built independently in different enterprises Deploying, Starting and Managing Applications and Production Operations Using a set of combined facilities Independently built Autonomously managed Developing software independently Expecting 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 delivered Infrastructure to organise a common technical platform – the foundations of communication

Relative Importance What envelopes you put your messages in How they are delivered Infrastructure to organise a common technical platform – the foundations of communication What information you send in your messages Their patterns of Use - sequences that mean something Their Contents The Grammar and Vocabulary of Communication Agreed Interpretations

Relative Importance What envelopes you put your messages in How they are delivered Infrastructure to organise a common technical platform – the foundations of communication What information you send in your messages Their patterns of Use - sequences that mean something Their Contents The Grammar and Vocabulary of Communication Agreed Interpretations What you do when you get a message The Application Code you Execute The Middleware Services  Security, Privacy, Authorisation, Accounting, Registries, Brokers, … Integration Services  Multi-site Hierarchical Scheduling, Data Access & Integration, … Portals, Workflow Systems, Virtual Data, Semantic Grids Tools to support Application Developers, Users & Operations  Incremental deployment tools, diagnostic aids, performance monitoring, … Technical Experts

Relative Importance What envelopes you put your messages in How they are delivered Infrastructure to organise a common technical platform – the foundations of communication What information you send in your messages Their patterns of Use - sequences that mean something Their Contents The Grammar and Vocabulary of Communication Agreed Interpretations What you do when you get a message The Application Code you Execute The Middleware Services  Security, Privacy, Authorisation, Accounting, Registries, Brokers, … Integration Services  Multi-site Hierarchical Scheduling, Data Access & Integration, … Portals, Workflow Systems, Virtual Data, Semantic Grids Tools to support Application Developers, Users & Operations Creative Actions and Judgements of Researchers, Designers & Clinicians Data, Models & Analyses In Silico Experiments, Design, Diagnosis & Planning Creating the Scientific Record Domain Experts

Where Next for e-Infrastructure Put people and teams first The creative force The repository of Experience, Skills and Knowledge Focus on Major Priorities Developing well-defined Flexible Agreements  Embraced as standards High-level Software Investment  Applications & Requirements led Explore & Evolve Common & Shared Infrastructure Recognise and respond to differences Celebrate and support commonalities