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e-Science, the Grid & Southampton University. Andy Keane Director, Southampton Regional e-Science Centre ajk@soton.ac.uk. e-Science and the Grid. ‘e-Science is about global collaboration in key areas of science, and the next generation of infrastructure that will enable it.’ John Taylor - PowerPoint PPT Presentation
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Andy KeaneDirector, Southampton
Regional e-Science Centreajk@soton.ac.uk
e-Science, the Grid& Southampton University
e-Science and the Grid
‘e-Science is about global collaboration in key areas of science, and the next generation of infrastructure that will
enable it.’
John TaylorDirector General of Research Councils,
Office of Science and Technology
Grid Computing
The Grid Problem“Flexible, secure, coordinated resource
sharing among dynamic collections of individuals, institutions, and resource”
• Enable communities (“virtual organizations”) to share geographically distributed resources as they pursue common goals - assuming the absence of …– central location– central control – omniscience– existing trust
Why Grids?• A biochemist exploits 10,000 computers to
screen 100,000 compounds in an hour• 1,000 physicists worldwide pool resources for
peta-op analyses of petabytes of data• Climate scientists visualize, annotate, & analyze
terabyte simulation datasets• Engineers at a multinational company
collaborate on the design of a new product• An insurance company mines data from partner
hospitals for fraud detection• An application service provider offloads excess
load to a compute cycle provider
Network for EarthquakeEngineering Simulation
• NEESgrid: national infrastructure to couple earthquake engineers with experimental facilities, databases, computers, & each other
• On-demand access to experiments, data streams, computing, archives, collaboration
NEESgrid: Argonne, Michigan, NCSA, UIUC, USC
Grids: Why Now?• Moore’s law highly functional end-
systems• Ubiquitous Internet universal connectivity• Network exponentials produce dramatic
changes in geometry and geography– 9-month doubling: double Moore’s law!– 1986-2001: x340,000; 2001-2010: x4000?
• New modes of working and problem solving emphasize teamwork, computation
• New business models and technologies facilitate outsourcing
Elements of the Problem• Resource sharing
– Computers, storage, sensors, networks, …– Heterogeneity of device, mechanism,
policy– Sharing conditional: negotiation, payment,
…• Coordinated problem solving
– Integration of distributed resources– Compound quality of service requirements
• Dynamic, multi-institutional virtual organisations– Dynamic overlays on classic org structures– Map to underlying control mechanisms
http://www.globus.org/research/papers/anatomy.pdf
The Grid World: Current Status
• Dozens of major Grid projects in scientific & technical computing/research & education– Deployment, application, technology
• Some consensus on key concepts and technologies– Open source Globus Toolkit™ a de facto
standard for major protocols & services– Far from complete or perfect, but out there,
evolving rapidly, and large tool/user base
• Global Grid Forum a significant force• Industrial interest emerging rapidly
UK e-Science Projects
UK e-Science Initiative
• £120M Programme over 3 years• £75M is for Grid Applications in all
areas of science and engineering• £10M for Supercomputer upgrade• £35M ‘Core Program’ to encourage
development of generic ‘industrial strength’ Grid middleware Require £20M additional ‘matching’
funds from industry
• Comb-e-Chem:Structure-Property Mapping– Southampton, Bristol, Roche, Pfizer, IBM
• DAME: Distributed Aircraft Maintenance Environment – York, Oxford, Sheffield, Leeds, Rolls Royce
• Reality Grid: A Tool for Investigating Condensed Matter and Materials– QMW, Manchester, Edinburgh, IC,
Loughborough, Oxford, Schlumberger, …
EPSRC e-Science Projects (1)
EPSRC e-Science Projects (2)
• My Grid: Personalised Extensible Environments for Data Intensive in silico Experiments in Biology– Manchester, EBI, Southampton, Nottingham,
Newcastle, Sheffield, GSK, Astra-Zeneca, IBM, Sun
• GEODISE: Grid Enabled Optimisation and Design Search for Engineering– Southampton, Oxford, Manchester, BAE, Rolls
Royce
• Discovery Net: High Throughput Sensing Applications– Imperial College, Infosense, …
UK Grid ‘Core Program’
UK Grid ‘Core Program’1. Grid ‘Core Program’ e-Science
Centres UK e-Science Grid2. Development of Generic Grid
Middleware3. ‘IRC’ Grand Challenge Project4. Support for e-Science Projects5. International Involvement 6. Grid Network Team
Cambridge
Newcastle
Edinburgh (NeSC)
Oxford
Glasgow NeSC
Manchester
Cardiff
Southampton
London
Belfast
DL
RAL Hinxton
UK e-Science Grid
e-Science Centre Middleware Projects
• Each centre has £1M to fund industry facing middleware projects (NeSC £3M)
• Projects require 50% resourcing from industry
• Projects should aim to exploit Grid technology to allow e-Science based working
• £5M for ‘Open Call’ projects
• Equator: Technological innovation in physical and digital life (led by Notts)
• AKT: Advanced Knowledge Technologies (led by Soton)
• DIRC: Dependability of Computer-Based Systems (led by N’castle)
• MIAS: From Medical Images and Signals to Clinical Information (led by Oxford)
IRC ‘Grand Challenge’ Project
IRC ‘Grand Challenge’ Project
Support for e-Science Projects• ‘Grid Starter Kit’ Version 1.0
- available for distribution from July 2001- maintain library of Open Source Grid m/w
• Grid Support Centre in operation- leads Grid Engineering Group- supports users
• Training Courses - first courses given
• National e-Science Institute Research Seminar Programme
• Architecture, database and engineering task forces
Southampton Regional
e-Science Centrehttp://www.e-science.soton.ac.uk
Soton e-Science CentreManagement Board
• Objectives– Ensure there is executive
attention to key e-Science Centre activities
– Set priorities to the E-Science Centre activities
– Make key decisions on e-Science centre process, resourcing and standards
– Communicate accomplishments, issues and intentions to senior management
• Members– Andy Keane– Simon Cox– Dave de Roure– Pete Hancock– Mike Chrystall
• Links– http://www.e-science.
soton.ac.uk
– http://www.nesc.ac.uk
Soton e-Science CentreManagement Board
• Scope– Activities within the
Southampton e-Science Centre
– Resourcing within the Southampton e-Science Centre
– GRID development supporting Southampton e-Science
– Regional Outreach
• Initial Agenda– Communications– GRID deployment– Recruiting– Accommodation– Access Grid Node– Establishing Regional
Community
Soton e-Science Centre Focus
• To support a number of industry facing Grid projects.
• To engage diverse industrial sectors.• To make use of large scale HPC facilities.• To make use of knowledge based technologies.• Involvement with Applications working group at
Global Grid Forum and Industry Forum.• Advanced Knowledge Technologies IRC led from
Southampton• Report to University level e-Science committee.• Support trans-national projects, e.g., GRIA.
Soton e-Science Centre Facilities
• Dedicated office space to house six staff initially, conversion of e-Science building to house up to 20 underway – SRIF funds.
• Small linux cluster for public use across the Grid operated in collaboration with SUCS now running.
• Access to large linux (324 node) cluster for partners in collaboration with SUCS.
• Access grid node operational.
Soton e-Science Centre TimeLine
• Initial grant agreed August 2001, dedicated building available June 2002.
• Centre Manager recruited Sept. 2001 and Technical Manager April 2002.
• Initial test-bed staff recruited for three projects which are now well established:– Geodise, Mygrid, Comb-e-chem
• Centre project recruiting underway:– G-Ship, GEM
• Further Centre projects being developed:– G-Civil, G-Yacht, G-Risk
Ongoing Activities• Delivery of G-Ship and GEM projects.• Development of further project specifications
taking place:– G-Civil will allow on-site instrumentation to be accessed
via the Grid.– G-Yacht to provide America’s Cup teams with new ways of
collaborative working.– G-Risk to give civil engineering contractors web service
based risk analysis tools (Anglo-Dutch consortium).
• University Strategic Plan being approved.• Conversion of new premises at cost of £1.5M –
available June 2002.• Refinement of public linux service underway.
Southampton Regional
e-Science CentreG-Ship Project
G-Ship Project
• Working with existing portfolio of commercial ship motion prediction software.
• Migrating this software into a Grid services model.
• Aim to provide consulting naval architects with state-of-the-art collaborative tools accessed via the Grid.
G-Ship Project• Provision of simple sign on, data entry, job
submission and workflow control services.• CAD geometry input service, capable of accepting a
variety of entry formats.• Automated mesh generation service based on
design topology.• Parallel processing of solutions (over distributed
resources, via OGSA compliant technology).• Post processing and visualisation service to provide
meaningful output to the designer.• Capability for integration with other service based
systems to provide combined offerings with greater scope.
G-Ship Project
• The power of ship motion simulation becomes available to a wider user base.
• Closer integration with CAD facilities brings about time and resource efficiencies.
• Brings in a ‘plug in’ approach to motion models integrated with the CAD design process.
• Produces Grid based services that can be integrated into more sophisticated offerings.
Southampton Regional
e-Science CentreGEM Project
GEM Project
• Working with small start-up company that designs optimal planar photonic devices.
• Aim to provide Grid services based design and optimization capability.
• Closely linked to the fabrication of new devices and existing CAD tools.
• State-of-the-art optimization toolkits.
GEM Project• Portal driven access to
electromagnetic simulation technologies.
• Distributed computational resources for EM simulation.
• Service based delivery of optimisation over the Grid.
• Automated generation and population of a repository of designs.
• Provide a framework for Grid based knowledge engineering and exploitation in this field.
GEM Project
GEM will link to the Geodise test-bed and demonstrate seamless access to state-of-the-art optimisation and search tools, industrial strength analysis codes, and distributed computing and data resources.
• Resource sharing & coordinated problem solving in dynamic, multi-institutional virtual organizations
• Using clusters, supercomputers & data repositories• Focus on Grid middleware:
– Globus Toolkit a source of protocol and API definitions – and reference implementations
– Open Grid Services Architecture represents next step in evolution
– Condor High throughput computing– Web Services & W3C leveraging e-business
• e-Science Projects applying Grid concepts to applications
• Southampton e-Science Centre emphasis on support for engineering applications.
Summary
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