Welcome
e-Science in the UK
Building Collaborative
eResearch Environments
Prof. Malcolm Atkinson
Director
www.nesc.ac.uk
23rd February 2004
Contents
Welcome & Message from Tony Hey
What is e-Science
UK e-Science Funding
UK e-Science Infrastructure
e-Research  Collaboration
Requires new behaviours
Accountable Safe Sharing
Recognition and Responsibility
Common or Bespoke Infrastructure
eResearch = e-Science for everybody?
UK e-Science
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.’
‘e-Science will change the dynamic of the
way science is undertaken.’
John Taylor
Director General of Research Councils
Office of Science and Technology
From presentation by Tony Hey
e-Science Programme’s Vision
UK will lead the in the exploitation of
e-Infrastructure
New, faster and better research
Engineering design, medical diagnosis,
decision support, …
e-Business, e-Research, e-Design,
e-Government, …
Depends on Leading e-Infrastructure
development & deployment
Grids, middleware, data curation, …
GSC, OMII, DCC, GOC, …
What is e-Science?
Invention and exploitation of advanced
computational methods
to generate, curate and analyse research data


Experimental, observational and synthetic data
Quality management and reliable evidence
to develop and explore models and simulations


Computation and data
Quality management and reliable evidence
to enable dynamic distributed virtual organisations


Facilitating collaboration and sharing
Security, reliability, accountability, manageability, agility
e-Science  Grid & Web Services
It is what you do with them that counts
Three-way Alliance
Multi-national, Multi-discipline, Computer-enabled
Consortia, Cultures & Societies
Theory
Models & Simulations
→
Shared Data
Requires Much
Computing Science
Engineering,
Systems, Notations &
Much Innovation Formal Foundation
Experiment &
Advanced Data
Collection
→
Shared Data
Changes Culture,
New Mores,
New Behaviours
→ Process & Trust
New Opportunities, New Results, New Rewards
Biochemical Pathway Simulator
(Computing Science, Bioinformatics, Beatson Cancer Research Labs)
Closing the information loop – between lab and computational model.
DTI Bioscience Beacon Project
Harnessing Genomics Programme
Slide from Professor Muffy Calder, Glasgow
LHC Distributed Simulation
& Analysis
1 TIPS = 25,000 SpecInt95
~PBytes/sec
Online System
~100 MBytes/sec
•100 triggers per second
•Each event is ~1 Mbyte
US Regional
Centre
Tier
3
~ Gbits/sec
or Air Freight
Italian Regional
Centre
Institute
Institute
~0.25TIPS
Workstations
CERN Computer
Centre >20 TIPS
Tier
0
French Regional
Centre
Tier
2
~Gbits/sec
Physics data
cache
PC (1999) = ~15 SpecInt95
Offline Farm
~20 TIPS
~100 MBytes/sec
•One bunch crossing per 25 ns
Tier
1
1. CERN
ScotGRID++
~1 TIPS
RAL Regional
Centre
Tier2 Centre
Tier2 Centre
Tier2 Centre
~1 TIPS ~1 TIPS ~1 TIPS
Physicists work on analysis “channels”
Institute
Institute
100 - 1000
Mbits/sec
Tier
4
Each institute has ~10 physicists working on
one or more channels
Data for these channels should be cached by
the institute server
Database Growth
Bases 45,356,382,990
PDB Content Growth
UCSF
UIUC
From Klaus Schulten, Center for Biomollecular Modeling and Bioinformatics, Urbana-Champaign
e-Science: SR2002 and SR2000
Research Council
Medical
Biological
Environmental
Eng & Phys
HPC
Core Prog.
Particle Phys & Astro
Economic & Social
Central Labs
2004-6
£13.1M
£10.0M
£8.0M
£18.0M
£2.5M
£16.2M
£31.6M
£10.6M
£5.0M
2001-4
(£8M)
(£8M)
(£7M)
(£17M)
(£9M)
(£15M) + £20M
(£26M)
(£3M)
(£5M)
Most of SR2002 allocated; to come Fundamental CS for e-Science, JCSR, …
e-Science: SR2004
Funds base-lined in each research council
Each will decide what to do with it
Will there be stimulation of collaboration?
Will there be large projects?
Will there be any investment in common
infrastructure?
Core Facilities via JISC (& EPSRC?)
OMII, DCC, …
£11 Million
DTI
Industry & Applications driven open process
Inter-enterprise Computing
Complex Systems
First call April 04: then 2 per year with priorities
Globus
Alliance
National
eScience
Centre
www.nesc.ac.uk
HPC(x)
Example: OGSA-DAI
Initiated in Database Task Force at NeSC
Workshops of Developers & Users – Requirements driven
Ideas developed
Workshops of the UK Architectural Task Force
Workshops on OGSA & OGSI with Globus, Oracle & IBM
Prototypes from Research
Quality Software from EPCC & IBM
Launched standards effort at GGF – DAIS WG – Large Effort
Training Courses for Users & Developers
Coordinated effort
Workshops on Software Development & Requirements
Agreed Mechanisms & Schedule with Globus
Formed Globus Alliance
Fundamentals of Collaboration
Agreed Models of How to Work Together
Evolving understanding
Developing trust
Affordable and Agile
Effective Tools
Rapid assembly of Virtual Organisations
Easy Research Application Development
Low cost change
Supported research workflows
Shared Infrastructure & Ubiquitous Access