1. Click to edit Master subtitle style 8/13/10 Future of the NGS: Virtual Facilities Sharing Services Dr Andrew Richards STFC Rutherford Appleton Laboratory, UK

2. Click to edit Master subtitle style UK e - Infrastructure LHCLHC ISIS TS2 HP Cx + HECt oR User s get common access, tools, information, nationally supported services, through NGS Integra ted internation ally VRE, VLE, IE Regional and Campus grids Community Grids HEIs

3. Collaborations SAGA

4. To date Start: 4 core site to learn how to run grids in production. Now: 24 member sites, mixed resources. Future: – Virtual Facility, Shared Resources – national and international gateway to resource providers for researchers.

5. 8/13/10 NGS Member Institutions, February 2010

6. Specialist services Westminster Operates and supports P-GRADE portal and GEMLCA legacy application support services Belfast e-Science Centre  Web Service Hosting Container Service Web service containers into which projects or VOs can deploy their own Web or Grid services, using automatic deployment technology Oxford e-Research Centre OMII-UK GridSAM OGF HPC-Basic Profile compliant Job submission Promoting interoperability with international grids Eucalyptus Cloud system Exposing AWS compatible interfaces and functionality to NGS users Edinburgh Eucalyptus Cloud system STFC Rutherford Appleton Laboratory Visualisation using specialised cluster from within the STFC e-Science Viz group

7. 25 member institutes 33 heterogeneous resources 15,000 processing cores In the last 12 months 4,629,127 CPU hrs used 888,862 jobs ran 2nd largest e-Science CA 22,121 certificates issued 4,911 active currently www.ngs.ac.uk > 75 applications Diverse User Community

8. Key areas Adoption of open standards Provide access to wide range of resources Integrating HEI resources and researchers Community-led support programmes Promote and facilitate training

11. Organisational Membership Campus Champion – Appointed of an institutional Campus Champion – Liaison between HEI/research organisation and NGS Infrastructure Members – NGS Interfaces – monitored and certified – Affiliate Maintains control over permitted users – Partner Supporting access by a significant body of NGS users Publish a service level description (SLD) detailing the services offered

12. Membership Programme Goals: 1. Increase the range and depth of services and resources that NGS can offer to its users 1. Provide leadership and sources of best practice to sites needing to put their resources “on the Grid” 1. Create communities able to exploit the connected resources for interdisciplinary research

13. NGS Membership programme Aiming to integrate services to access a growing number, scale and variety of resources spanning the complete space from advanced real time facilities such as synchrotrons and telescopes through to complex queries of historical data stored in national or institutional data centres.

14. Why join? Institutions have a mission to support their own users Increasing dependence on computation & data, and growing need to collaborate beyond the institution, make “getting on the Grid” a necessity for an institution to remain competitive Growing need to illustrate ‘green’ credentials which are easily demonstrated by commitment to efficient usage of currently owned resources through ‘grid’

15. Impact Improve accessibility to local resources Widen accessibility to local resources Use once Use anywhere Share/Trade/Buy/Sell resources Facilitate collaboration nationally and internationally

16. Benefits to the research community – Access by local researchers to local resources through standard interfaces Application level integration possible, the command line is no longer the only option! Support development of compliant access methods either available locally or through a central service provider – Access to resources of a type that may not be locally available Software unlicensed in the university? Data is generated at an international facility and needed on local resources? – Usage of resources independent of location insulating them from local downtime and periods of resource instability

17. User access SARoNGS WMS HERMES Data Client Application Hosting Environment (AHE) Direct access GSI-SSH terminal MEG NGS Portal/ Applications Repository

18. Service Development (Filling the gaps) Core Developments NGS Portal: Applications Repository – NGS, NSCCS HERMES data client / DataMinx project SARoNGS – Shibboleth Access NGS Accounting : UAS : RUS MEG – MyProxy enabled GSISSH access Monitoring: INCA Associated developments (EGEE) APEL GOCDB

19. Benefits to the institution Links into national e-infrastructure framework – Provision of value added services that a single institution wouldn’t want to run! – How large is the nationally collaborative research body? – Removing the possibility of needing to arrange NxN custom agreements with different collaborating institutions Allows for creation of inter-institutional economy – smooth usage of resources allowing increased utilization of resource, increasing efficiency – external accounting & quality assurance frameworks – standard interfaces allowing users to see no change

20. Support and Training Local & national training events NGS Road Shows National helpdesk Campus Champion Online tutorials and practicals

21. Training Direct support – Roadshows – Training for users (communities) – Train the trainers Opportunities – Shared workshops and schools – Influence the training agenda – Exploit expertise

22. Case Studies and Documentation Specific + “Generic” – Site neutral, topical, expert – Freely available, professionally produced – Exploit NGS interfaces and services (it works) Opportunities – Support local outreach – Exploit NGS documentation – Publicise your/our achievements

23. Events Community Conferences – CCPb, Bioinformatics, NGS UF/IF, road shows

24. Click to edit Master subtitle style 8/13/10 Best Practice

25. NGS well placed for this role – Supported role to enable National Engagement – Collaborative activity not tied to 1 institution Coordination connected to National Facilities – Push an integration agenda, not specific field – Track record (RCUK international review) Opportunities – Growing recognition of role NGI, BBSRC + The Genome Analysis Centre, GridPP, BADC... – Even better with your experience/expertise/services Application expertise

26. What does the NGS offer? Access to central support services for e-infrastructure – Helpdesk – Training – Application support – Central services e.g. CA, MyProxy, WMS etc Certification process to ensure resource providers deliver service against SLD/standard interfaces Common interfaces enable brokering of resources – Ease of access for end users – Ability to trade: buy/sell compute time across institute resource – Ability to link to international resources: International project participation – Ability to share data/migrate data/buy data services at other institutes for resilience/backup/

27. Focus We Don’t do everything – Focus on Access to computational resources Access to data storage Data movement and management – Emphasis on Open standards International standards Collaboration

28. Supporting Collaboration “Grid” accounting – Support a person, group, project, institution... A “Virtual Organisation” – Share or exchange resources NGS acts as “honest broker” Standard interfaces give some future-proofing Opportunities – Support research collaborations (proven tools) – Load balancing – Value added tools with broad application – see next page...

29. Outsourcing Standard interfaces – Simplify and reduce barrier to moving work – Avoid lock in and reduce barriers to moving – Allow 3rd part providers to offer services NGS “honest broker” role Opportunities – Sharing resources through common interfaces – Trading/buying/selling via NGS mediation – “commercial” services through standard interfaces E.g. cloud, data storage, training...

30. Click to edit Master subtitle style 8/13/10 Impact on the Community

31. Research to Service Research GroupNGSUniversity

32. Click to edit Master subtitle style 8/13/10 International

33. ESFRI Projects European Strategic Forum for Research Infrastructure – “bottom up” list of (~30) pan-European RI – Strong support from EC Opportunities – Signposts for the future – Ensure UK access to key RI ELIXIR, BBMRI, ICOS, HiPER, XFEL, CLARIN, DARIAH... – EC support – in connection with EC e-Infrastructure

35. Click to edit the outline text format Second Outline Level  Third Outline Level Fourth Outline Level  Fifth Outline Level  Sixth Outline Level  Seventh Outline Level  Eighth Outline Level Ninth Outline LevelClick to edit Master text styles – Second level Third level – Fourth level » Fifth level 8/13/10

36. Click to edit the outline text format Second Outline Level  Third Outline Level Fourth Outline Level  Fifth Outline Level  Sixth Outline Level  Seventh Outline Level  Eighth Outline Level Ninth Outline LevelClick to edit Master text styles – Second level Third level – Fourth level » Fifth level 8/13/10 Grid: EGI EGI.eu Office in Amsterdam (March) Information catalogs, AAA, Metadata/data catalogs, File replication, file transfer Job brokering Interfaces and portals...

37. EGI and NGIs 34 Countries signed MOU EGI.eu established in Amsterdam Steven Newhouse interim director 4 year project Subscription based model NGS (JISC signed MOU)

38. Intercontinental Existing NGS links – User led TeraGrid – Technical connections through e.g. OGF/GIN Security, Identity, data management, SRB/IRODs MoU with OSG Opportunities – We know who to talk to

39. Click to edit Master subtitle style 8/13/10 www.ngs.ac.uk Dr Andrew Richards andrew.richards@stfc.ac.uk Questions?

40. Click to edit Master subtitle style 8/13/10 Case Studies Note (to delete): CD suggests case studies highlighting different benefits of NGS, e.g. increased speed (burglary), more complex calculations/simulations (dinosaurs), novel technologies and interoperability (GENIUS), variety of services and interoperability with other resources (GENIE)… They all have applied benefits and impact on people/UK

41. Click to edit the outline text format Second Outline Level  Third Outline Level Fourth Outline Level  Fifth Outline Level  Sixth Outline Level  Seventh Outline Level  Eighth Outline Level Ninth Outline LevelClick to edit Master text styles – Second level Third level – Fourth level » Fifth level Click to edit the outline text format Second Outline Level  Third Outline Level Fourth Outline Level  Fifth Outline Level  Sixth Outline Level  Seventh Outline Level  Eighth Outline Level Ninth Outline LevelClick to edit Master text styles – Second level Third level – Fourth level » Fifth level Predicting Crime Nick Malleston, Leeds University burglary rates agent-based predictive models vary environmental factors, predicts burglar’s behaviour adapted Java program to run across Grid NGS speeds things up - 2.5 years of results in under a week

42. Click to edit the outline text format Second Outline Level  Third Outline Level Fourth Outline Level  Fifth Outline Level  Sixth Outline Level  Seventh Outline Level  Eighth Outline Level Ninth Outline LevelClick to edit Master text styles – Second level Third level – Fourth level » Fifth level Click to edit the outline text format Second Outline Level  Third Outline Level Fourth Outline Level  Fifth Outline Level  Sixth Outline Level  Seventh Outline Level  Eighth Outline Level Ninth Outline LevelClick to edit Master text styles – Second level Third level – Fourth level » Fifth level Dinosaur locomotion Karl Bates, University of Manchester muscle activation patterns in dinosaurs NGS allows increased model sophistication

43. Oceans and Climate Andrew Price, GENIE project, Southampton thermohaline circulation in oceans integrates component earth models future climate prediction 5 yrs computations in 3 months integrates NGS and other resources NGS hosts database users share simulations, metadata

44. Cerebral blood flow http://wiki.realitygrid.org/wiki/GENIUS processes 2D MRI images, recreates 3D vasculature map visualise and steer the model in real time advanced resource reservation utilize international federated grid of supercomputers GENIUS project

45. Simulation performed on the NGS of a drug permeating through a membrane Name: Dr Brian Cheney Institution: University of Southampton Research: Membrane Permeation Drs Brian Cheney and Jonathan Essex research membrane permeation of small molecules at the University of Southampton. They’re interested in learning what physical and chemical features make a molecule a good or bad permeant, and in developing ways to quantify and estimate a molecule’s permeability.

46. Using the NGS to access geographically distributed astronomy databases Name: Helen Xiang Institution: University of Portsmouth Research: Astronomy databases Helen Xiang and Professor Robert Nicol at the University of Portsmouth have been working on Astronomy databases. They use software called OGSA-DAI to link up astronomy data that is stored on the NGS and at Portsmouth. This way they can retrieve the data from two places with one command.

47. Click to edit the outline text format Second Outline Level  Third Outline Level Fourth Outline Level  Fifth Outline Level  Sixth Outline Level  Seventh Outline Level  Eighth Outline Level Ninth Outline LevelClick to edit Master text styles – Second level Third level – Fourth level » Fifth level Click to edit the outline text format Second Outline Level  Third Outline Level Fourth Outline Level  Fifth Outline Level  Sixth Outline Level  Seventh Outline Level  Eighth Outline Level Ninth Outline LevelClick to edit Master text styles – Second level Third level – Fourth level » Fifth level Simulating DNA Mechanics Overtwisted DNA circles Simulating DNA stretching Work on the NGS done by Sarah Harris and Jon Mitchell, University of Leeds

48. GENIUS project Grid Enabled Neurosurgical Imaging Using Simulation Demonstrations at AHM 2007, SC2007 http://wiki.realitygrid.org/wiki/GENIUS Working closely with researchers at University College London to get NGS supporting the Genius project this year Real-time visualisation of blood flow through the brain. The simulation can be steered by input data and viewing angle. Real-time visualisation done using ray-tracer in HemeLB algorithm to avoid data transmission and pre/post processing stages

49. Outreach