e-Science and the Grid – for Research and Industry

Tony Hey

Director of UK e-Science Core Programme

Tony.Hey@epsrc.ac.uk

The e-Science Paradigm • The Integrative Biology Project involves the

University of Oxford (and others) in the UK and the University of Auckland in New ZealandModels of electrical behaviour of heart cells

developed by Denis Noble’s team in OxfordMechanical models of beating heart developed by

Peter Hunter’s group in Auckland

• Researchers need to be able to easily build a secure ‘Virtual Organisation’ allowing access to each group’s resources Will enable researchers to do different science

The Grid = A set of core middleware services running on top of high performance global networks

RCUK e-Science Funding

First Phase: 2001 –2004• Application Projects

– £74M– All areas of science

and engineering• Core Programme

– £15M Research infrastructure

– £20M Collaborative industrial projects

Second Phase: 2003 –2006• Application Projects

– £96M– All areas of science and

engineering• Core Programme

– £16M Research Infrastructure

– £10M DTI Technology Fund

UK Focus on Data and Security• Data Access and Integration

– OGSA-DAI and DAIT project with IBM

• Key grid data services– Workflow, Provenance– Distributed Query, Knowledge Management

• Data Curation and Data Handling– Digital Curation Centre with JISC

• Security, AA and all that– e-Science CA, GSI and WS-Security– Shibboleth/PERMIS deployment with InterNet2

Comb-e-Chem Project

X-Raye-Lab

Analysis

Properties

Propertiese-Lab

SimulationVideo

Diff

ract

omet

er

Grid Middleware

StructuresDatabase

myGrid Project

• Imminent ‘deluge’ of data

• Highly heterogeneous• Highly complex and

inter-related• Convergence of data

and literature archives

Nucleotide Annotation Workflows

Discovery Net Project

Download sequence

from Reference

Server

Save to Distributed Annotation

Server

InteractiveEditor &

Visualisation

Execute distributed annotation workflow

NCBIEMBL

TIGR SNP

InterPro

SMART

SWISSPROT

GO

KEGG

1800 clicks 500 Web access200 copy/paste 3 weeks work in 1 workflow and few second execution

In flight data

Airline

Maintenance Centre

Ground Station

Global Networkeg: SITA

Internet, e-mail, pager

DS&S Engine Health Center

Data centre

DAME Project

eDiaMoND Project

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

StandardMammoFormat

StandardMammoFormat

Temporal mammography

ComputerAidedDetection

3D View

The UK e-Science Experience:Phase 1

• All Research Council e-Science funds committed– e-Science pilots launched covering many areas

of science, engineering and medicine

• UK e-Science Core Programme – DTI £20M for collaborative industrial R&D

About 80 UK companies participating Over £30M industrial contributions

• Engineering, Pharmaceutical, Petrochemical• IT companies, Commerce, Media

UK e-Science: Phase 2

Three major new activities:

1. Deploy National Grid Service and establish Grid Operation Support Centre

2. Fund Open Middleware Infrastructure Institute for testing, software engineering and repository for UK middleware

3. Set up Digital Curation Centre for R&D into long-term data preservation issues

UK National Grid Service

• From April 2004, NGS offers free access to two 128 processor compute nodes and two data nodes

• Initial software is based on GT2 via VDT and LCG releases plus SRB and OGSA-DAI

• Plan to move to Web Services based Grid middleware by April 2005

• Need for resource allocation mechanismsAccounting, Performance Prediction

The Web Services ‘Magic Bullet’

Web services

Company A(J2EE)

Company B(LAMP)

Company C(.Net)

Open Grid Services Architecture • Development of Web Services• OGSA/WSRF/… will provide

Naming /Authorization / Security / Privacy/… Projects should look at higher level services: Workflow,

Transactions, DataMining, Knowledge Discovery… Exploit Synergy: Commercial Internet

with Grid Services

The UK Open Middleware Infrastructure Institute (OMII)

• Repository for UK-developed Open Source ‘e-Science/Cyber-infrastructure’ Middleware

• Documentation, specification,QA and standards

• Fund work to bring ‘research project’ software up to ‘production strength’

• Fund Middleware projects for identified ‘gaps’

• Work with US NSF, EU Projects and others

• Supported by major IT companies Southampton selected as the OMII site

Digital Curation Centre (DCC)• In next 5 years e-Science projects will produce

more scientific data than has been collected in the whole of human history

• In 20 years can guarantee that the operating and spreadsheet program and the hardware used to store data will not exist

Research curation technologies and best practice Need to liaise closely with individual research

communities, data archives and libraries

Edinburgh with Glasgow, CLRC and UKOLN selected as site of DCC

MIT DSpace Vision

‘As more and more research and educational material is ‘born digital’, institutions and organizations are increasingly realizing the need for a stable place in which such material may be stored and accessed long-term. The Massachusetts Institute of Technology is a perfect example of an organization with this need. Much of the material produced by faculty, such as datasets, experimental results and rich media data as well as more conventional document-based material (e.g. articles and reports) is housed on an individual’s hard drive or department Web server. Such material is often lost forever as faculty and departments change over time.’

 

Three Industry Perspectives

• An SAP view

• BAESystems and Virtual Organisations

• The Burger Model from T-Systems

ERP System

Naturally Distributed ProcessingBuyer

WMTRM

Vendor

EventManagement AII

Delivery

Create Event Handler

Purchase Order

Adv. ShipNotification

Cust.Order

Register IDof Pallet

Post Goods Issue

Create HU

Pickor

Produce

Scan IDs

Issue Goods(Loading)

Build HU

AssociateItems / Pallet /

Tags

DeliveryDelivery

BAEgrid – deployment of virtual organisations

BAEsite R

BAEsite B

Southamptone-Science

SingaporeiHPC

Cardiffe-Science

Swansea U.Manchestere-Science

HP Labs BAEsite F

BAEsite G

BAEsite WPlatform

•VO needs better definition to support asymmetric operation.

• VO lifecycle tools are required.

Identification

Formation

Operation

Dissolution

T-Systems Burger Model

Corporate Computing

Information Glue

Pervasive Computing

The Commoditization of Middleware

• Microsoft and IBM have agreed on the Web Services ‘open standard’ approach to interoperable low level distributed middleware

• Providing high value-added services and products based on this secure, robust, common open standard middleware infrastructure will be central to the new economy.

• The existence of ‘open source’ implementations of this ‘open standard’ middleware will enable new SMEs to compete with traditional packaged software vendors

Realizing Licklider’s Vision “Lick had this concept of the intergalactic network

which he believed was everybody could use computers anywhere and get at data anywhere in the world. He didn’t envision the number of computers we have today by any means, but he had the same concept – all of the stuff linked together throughout the world, that you can use a remote computer, get data from a remote computer, or use lots of computers in your job. The vision was really Lick’s originally.”

Larry Roberts – Principal Architect of the ARPANET

e-Government and the Grid

‘[The Grid] intends to make access to computing power, scientific data repositories and experimental facilities as easy as the Web makes access to information.’

Tony Blair, 2002