The European Grid Initiative - A View from the Austrian National Grid Initiative

1. The European Grid Initiative -A View from the Austrian National Grid Initiative Dieter Kranzlmüller (EGI Coordinator) GUP – Institute of Graphics and Parallel ProcessingJoh. Kepler Univ. Linz, Austria CGW’06Cracow Grid Workshop 17 October 2006 Cracow, Poland

2. The European Grid Initiative

3. Defining the Grid • A Grid is the combination of networked resources and the corresponding Grid middleware, which provides Grid services for the user. The European Grid Initiative

4. Example: Biomedicine • Parallel simulationof blood flowon the Grid Cooperation with University Amsterdam The European Grid Initiative

5. Example: Flooding Crisis • Simulation of floodingon the Grid Cooperation with Slowak Academy of Sciences The European Grid Initiative

6. Example: Scientific Visualization Visualization on Sony PSP The European Grid Initiative

7. Example: WISDOM • Grid-enabled drug discovery process for neglected diseases • In silico docking • compute probability that potential drugs dock with target protein • To speed up and reduce cost to develop new drugs • WISDOM (World-wide In Silico Docking On Malaria) • First biomedical data challenge • 46 million ligands docked in 6 weeks • Target proteins from malaria parasite • Molecular docking applications: Autodock and FlexX • ~1 million virtual ligands selected • 1TB of data produced • 1000 computers in 15 countries • Equivalent to 80 CPU years • Significant results • Best hits to be re-ranked using Molecular Dynamics The European Grid Initiative

8. H5 N1 Credit: Y-T Wu Credit: Y-T Wu Example: Avian flu • Avian Flu H5N1 • H5 and N1 = proteins on virus surface • Biological goal of data challenge • Study in silico the impact of selected point mutations on the efficiency of existing drugs • Find new potential drugs • Data challenge parameters: • 5 Grid projects: Auvergrid, BioinfoGrid, EGEE, Embrace, TWGrid • 1 docking software: autodock • 8 conformations of the target (N1) • 300 000 selected compounds >100 CPU years to dock all configurations on all compounds • Timescale: • First contacts established: 1 March 2006 • Data Challenge kick-off: 1 April 2006 • Duration: 4 weeks The European Grid Initiative

9. Sumatra, March 28, 2005 Mw=8.5 Peru, June 23, 2001 Mw=8.4 Example: Earthquakes • Seismic software application determines epicentre, magnitude, mechanism • Analysis of Indonesian earthquake (28 March 2005) • Seismic data within 12 hours after the earthquake • Solution found within 30 hours after earthquake occurred • 10 times faster on the Grid than on local computers • Results • Not an aftershock of December 2004 earthquake • Different location (different part of fault line further south) • Different mechanism Rapid analysis of earthquakes important for relief efforts The European Grid Initiative

10. EGEE-II Overview The European Grid Initiative

11. Defining the Grid • A Grid is the combination of networked resources and the corresponding Grid middleware, which provides Grid services for the user. The European Grid Initiative

12. EGEE Infrastructure Scale (July 2006): ~ 200 sites in 40 countries > 26 000 CPUs > 11 PB storage > 35 000 concurrent jobs per day > 60 Virtual Organizations Country participating in EGEE The European Grid Initiative

13. Defining the Grid • A Grid is the combination of networked resources and the corresponding Grid middleware, which provides Grid services for the user. The European Grid Initiative

14. Applications Environmental Sciences Life & Pharmaceutical Sciences Geo Sciences Middleware APST Globus GT4 Condor Building Software for the Grid Courtesy IBM Platform Infrastructure Unix Windows JVM TCP/IP MPI .Net Runtime VPN SSH Slide Courtesy David Abramson The European Grid Initiative

15. Applications Environmental Sciences Life & Pharmaceutical Sciences Geo Sciences Middleware APST Globus GT4 Condor Building Software for the Grid Upper Middleware & Tools Lower Middleware Courtesy IBM, Bonds Platform Infrastructure Unix Windows JVM TCP/IP MPI .Net Runtime VPN SSH Slide Courtesy David Abramson The European Grid Initiative

16. Defining the Grid • A Grid is the combination of networked resources and the corresponding Grid middleware, which provides Grid services for the user. The European Grid Initiative

17. EGEE Applications • >20 applications • High Energy Physics • Biomedicine • Earth Sciences • Computational Chemistry • Astronomy • Geo-Physics • Financial Simulation • Fusion • Further applications in evaluation Applications now moving from testing to routine and daily usage The European Grid Initiative

18. EGEE-II Overview BUT … The European Grid Initiative

19. EGEE and Sustainability BUT … • How does EGEE compare to other computing infrastructures? • Number of infrastructure users? • Number of application domains? • Number of computing nodes? • Number of years in service? • What would happen, if EGEE is turned off? • What happens after April 2008 (End of EGEE-II)? The European Grid Initiative

20. Sustainability: Beyond EGEE-II • Need to prepare for permanent Grid infrastructure • Maintain Europe’s leading position in global science Grids • Ensure a reliable and adaptive support for all sciences • Independent of project funding cycles • Modelled on success of GÉANT • Infrastructure managed centrally in collaboration with national bodies (in EGEE-II: JRUs) The European Grid Initiative

21. e-Infrastructure for Europe • A European Vision for a Universal e-Infrastructure for Research(1) • “An environment where research resources (H/W, S/W & content) can be readily shared and accessed wherever this is necessary to promote better and more effective research” (1) Malcolm Read (Ed.) http://www.e-irg.org/meetings/2005-UK/A_European_vision_for_a_Universal_e-Infrastructure_for_Research.pdf The European Grid Initiative

22. e-IRG Recommendations on Sustainable e-Infrastructures I: Governments and the Commission should develop policies and mechanisms to encourage increased investment in a more coherent and interoperable way across Europe II: The existing e-Infrastructure projects must be superseded by integrated sustainable services at national and European levels III: e-Infrastructures must be application-neutral and open to all user communities and resource providers. National funding agencies should be encouraged to fund multi-disciplinary and inclusive infrastructures rather than disciplinary-specific alternatives IV: e-Infrastructures must inter-operate and adopt international standard services and protocols in order to qualify for funding V: The Commission should, within the seventh Framework Programme, develop a pan-European e-Infrastructure which explicitly encourages the further integration of national e-Infrastructure initiatives e-IRG Task Force on Sustainable e-Infrastructures (SeI)http://www.e-irg.org/publ/2006-Report_e-IRG_TF-SEI.pdf The European Grid Initiative

23. Grids in Europe • Large European investment in developing Grid technology • Sample of National Grid projects: • Austrian Grid Initiative • Belgium: BEgrid • DutchGrid • France: Grid’5000 • Germany: D-Grid; Unicore • Greece: HellasGrid • Grid Ireland • Italy: INFNGrid; GRID.IT • NorduGrid • Portuguese Grid • Swiss Grid • UK e-Science: National Grid Service; OMII; GridPP • Multi-national, multi-science Grid infrastructures are a priority of the EC: • DEISA, EGEE plus several supporting projects The European Grid Initiative

24. “…for Grids we would like to see the move towards long-term sustainable initiatives less dependent upon EU-funded project cycles” Viviane Reding, Commissioner, European Commission, at the EGEE’06 Conference, September 25, 2006 The European Grid Initiative

25. Sustainable grid/data-based e-Infrastructures (utility model) Sustainable e-Infrastructures (utility model) FP7 Production quality facilities FP6 FP5 Broad scale test-beds Towards sustainable grid-empowered e-Infrastructures Slide courtesy of Kyriakos Baxevanidis, EC

26. DRAFT Publication: early 2007 Closure: spring 2007 Support conceptual design studies for new RI (or major upgrades of existing ones) of clear European dimension and interest; such studies will help to assess technical and financial feasibility of proposed new RI Action should also foster emergence of new organisational models to consolidate a sustainable approach to e-Infrastructures, in particular in the domain of grids and data repositories New service provisioning schemes to be more neutral and open to all user communities and resource providers • e-Science Grid Infrastructures • Scientific Digital Repositories • Deployment of e-Infrastructures for new Scientific Communities • New Research Infrastructures – Design studies • New Research Infrastructures – Preparatory phase • Support measures (studies, policy initiatives, international co-operation,…) The first e-Infrastructure Call in FP7 Year 2007 Year 2008 Year 2009 Slide courtesy of Kyriakos Baxevanidis, EC

27. European Grid Initiative: Vision • … organizes the management and operation of a reliable production Grid infrastructure (heterogeneous resources, independently managed and configured) for the European Research Area (ERA) • ... interoperates with different e-Infrastructures around the globe (incl. HPC, …), provides a common abstraction layer to grid resources, contributes to Grid standardisation and policy efforts • … is composed as a federation of National Grid Initiatives (NGIs) – inclusive to those interested to join, open to those unable to join at the moment – and supports the formation of new NGIs and the improvement of current NGIs • … supports applications from diverse communities, is driven by the user communities, establishes and maintains links to business and industry, and disseminates knowledge about the Grid through training and education. Towards a European Infrastructure for e-Sciencehttps://edms.cern.ch/file/766455/1/EGIOverview.pdf The European Grid Initiative

28. Structure Federated model bringing together National Grid Initiatives (NGIs) to build a European organisation Each NGI should be a national body • Recognised at the national level • Important to be single point of contact • Organizations will differ; e.g. can be national coordination body • Mobilises national funding and resources • Funding schemes will differ from country to country • Operates the national e-Infrastructure • Supports user communities • Application independent, open to new user communities and resource providers • Contributes and adheres to international standards and policies The European Grid Initiative

29. EGI/NGI Responsibilities • Responsibilities between NGI and EGI are split to be federated and complimentary • Main role of EGI is to operate of the common multi-national, multi-disciplinary Grid infrastructure • Federation of the national infrastructures • Enables and supports international Grid-based collaboration • Provides support and adds value to NGIs • Does not repeat functions done at NGI level (no “super NGI”) • European co-ordination body • Liaises with corresponding infrastructures outside Europe The European Grid Initiative

30. EGI Responsibilities in Detail • The exact sharing of responsibilities between NGIs and EGI is an ongoing discussion – what follows reflects our current understanding • Further details can be found in the D-Grid use-cases document • Operations management • Operational coordination on European level, provision of best practices, status monitoring, training material, documentation repository etc. • Policies • Definitions of policies between NGIs, SLAs, etc. • Standards • Definition of standards or interoperable components that are needed to ensure successful operation of the infrastructure • Middleware testing and certification • Interoperability of different stacks will be required • Provide build and test infrastructure to foster interoperability • Provide source-forge like repository • Initially provide a base distribution comprising certified components • Dissemination and outreach The European Grid Initiative

31. Routine Usage Testbeds Utility Service Evolution National EGIEuropeanGridInitiative European e-Infrastructure Global The European Grid Initiative

32. Austrian Grid EGIEuropeanGridInitiative The European Grid Initiative

33. Austrian Grid Phase II (2007-2009) Goals of Phase 2: • Continued expansion of expertise of Austrian Grid scientists, both middleware and applications • Transition from Prototype-Testbed into sustainable, service-oriented Grid architecture, with seamless integration into European Grid Initiative • Extension of existing application areas and exploration of new application areas • Increased information- and trainings efforts for research and other institutions, for which grids could be relevant • Implementation of focus points for information exchange and cooperation with business and industry The European Grid Initiative

34. Austrian Grid Phase II - Structure 4 Components (distributed over Austria) • Research Centre • Basic Grid Research: Middleware Extensions, Higher Levels of Grid Middleware • Application Support: Grid Application Development and Enabling • Development Centre • Contact point for Industry • User Information and Training • Service Centre • Management of the Grid Infrastructure (Hardware) and Middleware Distribution • Certification Authority • E-Infrastructure Coordination Committee The European Grid Initiative

35. Summary • The need for a European e-Infrastructure has been widely agreed • The current short-term project based models are reaching their limits • A model committing the National Grid Initiatives and building a central coordination organisation is proposed your input and feedback is actively sought • Such a scheme will ensure a sustainable e-Infrastructure for research, help maintain Europe’s leading position, and prepare for a global interoperable Grid infrastructure • An EGI Design Project will be proposed in FP7 to evolve the current thinking to arrive at a consensus of its structure, tasks and funding The European Grid Initiative