welcome malcolm atkinson director 28 th may 2004
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Welcome
Malcolm AtkinsonDirector
www.nesc.ac.uk
28th May 2004
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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
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The Primary Requirement …
Enabling People to Work Together on Challenging Projects: Science, Engineering & Medicine
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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
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Globus Alliance
CeSC (Cambridge)
DigitalCurationCentre
e-Science Institute
Open Middleware
Infrastructure Institute
Grid Operations
Centre
?
The e-Science Centres
EGEE
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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
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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
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Relative Importance
What envelopes you put your messages in
How they are deliveredInfrastructure to organise a common technical platform – the foundations of communication
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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
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Relative ImportanceWhat envelopes you put your messages in
How they are deliveredInfrastructure to organise a common technical platform – the foundations of communication
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
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Relative ImportanceWhat envelopes you put your messages in
How they are deliveredInfrastructure to organise a common technical platform – the foundations of communication
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
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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
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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)
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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)
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Importance of collaboration: VDT
A highly successful collaborative effortVDT 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
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Some bioinformatics sites
http://www.ntrac.org.uk/NetworkCentres/Edinburgh/Edinburgh.asp
http://www.gti.ed.ac.uk/Linking genomic and proteomic data
http://genex.hgu.mrc.ac.uk/Interesting atlas for organising collections of gene expression data
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Biology & MedicineExtensive Research Community
>1000 at Glasgow University
Extensive ApplicationsMany people care about them
Health, Food, Environment
Interacts with virtually every disciplinePhysics, Chemistry, Nanoengineering, …
450 Databases relevant to bioinformaticsHeterogeneity, Interdependence, Complexity, Change, …
Wonderful Scientific QuestionsHow does a cell work?How does a brain work?How does an organism develop?Why is the biosphere so stable?What happens to the biosphere when the earth warms up?…
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Database GrowthPDB Content Growth
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Biomedical research is knowledge and data intensive: For example experiments in developmental genetics could involve large volume data capture, 3D reconstruction, data mapping for quantitative & comparative analysis, data mining, modeling and simulation.
DataCapture
3DReconstruction
DataMapping
Analysis
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3-Channel fluorescent imaging:
12 day mouse embryoGreen - developing nervous tissueBlue - gut and other organsRed - ventricles of the heart
Access to high-performance computing enables the data to be reviewed before the specimen is removed from the scanner - important for fragile specimens and weak decaying signals.
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LacZ expressing cells (blue) in the developing mouse embryo brain. The surface of the neural ventricle (white) is shown for orientation.
Access via the Grid to computing resources allows high resolution images to be captured in any laboratory. The Grid enables centralisation of resource with a corresponding expertise critical-mass.
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Behavioural and genetic responses to gravity:
Flies in Space
J. Douglas Armstrong
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Behavioural and genetic responses to gravity
In flies, expression levels of 208 genes change in response to changes in gravity.About 70 mutant strains respond abnormally to gravity.The goal is to induce the relevant gene networks and understand how gravity affects them.It is inappropriate to assume these networks have a strictly linear response.
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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