1. Welcome e-Science in the UK Building Collaborative eResearch Environments Prof. Malcolm Atkinson Director www.nesc.ac.uk 23 rd February 2004

2. 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?

3. UK e-Science From presentation by Tony Hey

4. 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, …

5. 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

6. Three-way Alliance Computing Science Systems, Notations & Formal Foundation → Process & Trust Theory Models & Simulations → Shared Data Experiment & Advanced Data Collection → Shared Data Multi-national, Multi-discipline, Computer-enabled Consortia, Cultures & Societies Requires Much Engineering, Much Innovation Changes Culture, New Mores, New Behaviours New Opportunities, New Results, New Rewards

7. Biochemical Pathway Simulator (Computing Science, Bioinformatics, Beatson Cancer Research Labs) DTI Bioscience Beacon Project Harnessing Genomics Programme Slide from Professor Muffy Calder, Glasgow

8. LHC Distributed Simulation & Analysis Tier2 Centre ~1 TIPS Online System Offline Farm ~20 TIPS CERN Computer Centre >20 TIPS RAL Regional Centre US Regional Centre French Regional Centre Italian Regional Centre Institute Institute ~0.25TIPS Workstations ~100 MBytes/sec 100 - 1000 Mbits/sec One bunch crossing per 25 ns 100 triggers per second Each event is ~1 Mbyte Physicists work on analysis “channels” Each institute has ~10 physicists working on one or more channels Data for these channels should be cached by the institute server Physics data cache ~PBytes/sec ~ Gbits/sec or Air Freight Tier2 Centre ~1 TIPS ~Gbits/sec Tier 0 Tier 1 Tier 3 Tier 4 1 TIPS = 25,000 SpecInt95 PC (1999) = ~15 SpecInt95 ScotGRID++ ~1 TIPS Tier 2 1. CERN

9. Database Growth PDB Content Growth Bases 45,356,382,990

10. UCSF UIUC From Klaus Schulten, Center for Biomollecular Modeling and Bioinformatics, Urbana-Champaign

11. e-Science: SR2002 and SR2000 Research Council 2004-62001-4 Medical£13.1M (£8M) Biological£10.0M (£8M) Environmental £8.0M (£7M) Eng & Phys£18.0M(£17M) HPC £2.5M (£9M) Core Prog.£16.2M(£15M) + £20M Particle Phys & Astro £31.6M(£26M) Economic & Social £10.6M (£3M) Central Labs £5.0M (£5M) Most of SR2002 allocated; to come Fundamental CS for e-Science, JCSR, …

12. 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

13. www.nesc.ac.uk National e- Science Centre HPC(x) Globus Alliance

14. 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

15. 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