1 Fabrizio Gagliardi Project Director EGEE CERN, SwitzerlandIntroduction to EGEE Fabrizio Gagliardi Project Director EGEE CERN, Switzerland EGEE tutorial, Seoul, 29 August 2005

2 Presentation overviewData intensive science and rationale for Grid computing Particle physics and bio-informatics examples General description of the EGEE project and relations to HEP CERN LCG project EGEE operates a production infrastructure: Operations Middleware Applications Establish new user communities Promote and enable international collaboration EGEE tutorial, Seoul

3 Computing intensive scienceScience is becoming increasingly digital and needs to deal with increasing amounts of data Simulations get ever more detailed Nanotechnology – design of new materials from the molecular scale Modelling and predicting complex systems (weather forecasting, river floods, earthquake) Decoding the human genome Experimental Science uses ever more sophisticated sensors to make precise measurements Need high statistics Huge amounts of data Serves user communities around the world EGEE tutorial, Seoul

4 A good example: Particle PhysicsLarge amount of data produced in a few places: CERN, FNAL, KEK… Large worldwide organized collaborations (i.e. LHC CERN experiments) of computer-savvy scientists Computing and data management resources distributed world-wide owned and managed by many different entities Large Hadron Collider (LHC) at CERN in Geneva Switzerland: One of the most powerful instruments ever built to investigate matter Mont Blanc (4810 m) Downtown Geneva EGEE tutorial, Seoul

5 The LHC Experiments Large Hadron Collider (LHC): four experiments:ALICE ATLAS CMS LHCb 27 km tunnel Start-up in 2007 EGEE tutorial, Seoul

6 The LHC Data Challenge Starting from this event Looking forthis “signature”  Selectivity: 1 in 1013 (Like looking for a needle in 20 million haystacks) EGEE tutorial, Seoul

7 LHC Data 40 million collisions per secondConcorde (15 Km) Balloon (30 Km) CD stack with 1 year LHC data! (~ 20 Km) Mt. Blanc (4.8 Km) LHC Data 40 million collisions per second After filtering, 100 collisions of interest per second A Megabyte of data for each collision = recording rate of 0.1 Gigabytes/sec 1010 collisions recorded each year ~ 10 Petabytes/year of data LHC data correspond to about 20 million CDs each year! ~ 100,000 of today's fastest PC processors EGEE tutorial, Seoul

8 The solution: the Grid Integrating computing and storage capacities at major computer centres 24/7 access, independent of geographic location  Effective and seamless collaboration of dispersed communities, both scientific and commercial Ability to use thousands of computers for a wide range of applications Best cost effective solution for HEP LHC Computing Grid project (LCG) and from this the close integration of LCG and EGEE projects EGEE tutorial, Seoul

9 The largest e-Infrastructure: EGEEObjectives consistent, robust and secure service grid infrastructure improving and maintaining the middleware attracting new resources and users from industry as well as science Structure 71 leading institutions in 27 countries, federated in regional Grids leveraging national and regional grid activities worldwide funded by the EU with ~32 M Euros for first 2 years starting 1st April 2004 EGEE tutorial, Seoul

10 EGEE Activities 48 % service activities (Grid Operations, Support and Management, Network Resource Provision) 24 % middleware re-engineering (Quality Assurance, Security, Network Services Development) 28 % networking (Management, Dissemination and Outreach, User Training and Education, Application Identification and Support, Policy and International Cooperation) Emphasis in EGEE is on operating a production grid and supporting the end-users EGEE tutorial, Seoul

11 Grid Operations CIC The grid is flat, but Hierarchy of responsibilityEssential to scale the operation CICs act as a single Operations Centre Operational oversight (grid operator) responsibility rotates weekly between CICs Report problems to ROC/RC ROC is responsible for ensuring problem is resolved ROC oversees regional RCs ROCs responsible for organising the operations in a region Coordinate deployment of middleware, etc CERN coordinates sites not associated with a ROC CIC RC ROC OMC RC = Resource Centre ROC = Regional Operations Centre CIC = Core Infrastructure Centre OMC = Operations Management Centre EGEE tutorial, Seoul

12 EGEE Infrastructure Site Map In collaboration with LCG Grid3/OSGStatus 25 July 2005 In collaboration with LCG NorduGrid Grid3/OSG Site Map EGEE tutorial, Seoul

13 Grid monitoring Operation of Production Service: real-time display of grid operations Accounting Information Selection of Monitoring tools: GIIS Monitor + Monitor Graphs Sites Functional Tests GOC Data Base Scheduled Downtimes Live Job Monitor GridIce – VO + Fabric View Certificate Lifetime Monitor EGEE tutorial, Seoul

14 Number of jobs processed per month (April 2004-April 2005)Service Usage VOs and users on the production service Active VOs: HEP: 4 LHC, D0, CDF, Zeus, Babar Biomed ESR (Earth Sciences) Computational chemistry Magic (Astronomy) EGEODE (Geo-Physics) Registered users in these VO: 600 Many local VOs, supported by their ROCs Scale of work performed: LHC Data challenges 2004: >1 M SI2K years of CPU time (~1000 CPU years) 400 TB of data generated, moved and stored 1 VO achieved ~4000 simultaneous jobs (~4 times CERN grid capacity) Number of jobs processed per month (April 2004-April 2005) EGEE tutorial, Seoul

15 EGEE infrastructure usageAverage job duration January 2005 – June for the main VOs EGEE tutorial, Seoul

16 EGEE pilot applications (I)High-Energy Physics (HEP) Provides computing infrastructure (LCG) Challenging: thousands of processors world-wide generating petabytes of data ‘chaotic’ use of grid with individual user analysis (thousands of users interactively operating within experiment VOs) Biomedical Applications Similar computing and data storage requirements Major additional challenge: security & privacy EGEE tutorial, Seoul

17 BioMed Overview InfrastructurePADOVA BARI 15 resource centres 17 CEs 16 SEs Infrastructure ~2.000 CPUs ~21 TB of disk in 12 countries >50 users in 7 countries working with 12 applications 18 research labs ~ jobs launched since 04/2004 ~10 CPU years Month Number of jobs EGEE tutorial, Seoul

18 Bioinformatics GPS@: Grid Protein Sequence Analysis xmipp_MLrefineGridified version of NPSA web portal Offering proteins databases and sequence analysis algorithms to the bioinformaticians (3000 hits per day) Need for large databases and big number of short jobs Objective: increased computing power Status: 9 bioinformatic softwares gridified Grid added value: open to a wider community with larger bioinformatic computations xmipp_MLrefine 3D structure analysis of macromolecules From (very noisy) electron microscopy images Maximum likelihood approach to find the optimal model Objective: study molecule interaction and chem. properties Status: algorithm being optimised and ported to 3D Grid added value: parallel computation on different resources of independent jobs EGEE tutorial, Seoul

19 Combinatorial librariesDrug Discovery Demonstrate the relevance and the impact of the grid approach to address Drug Discovery for neglected diseases Target Identification Validation Lead Optimization Target discovery Lead discovery vHTS Similarity analysis Database filtering Computer Aided Drug Design (CADD) de novo design diversity selection Biophores Alignment Combinatorial libraries ADMET QSAR Clinical Phases (I-III) Duration: 12 – 15 years, Costs: million US $ EGEE tutorial, Seoul

20 Docking platform componentsPredict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure Grid infrastructure UI Targets family ~10 Compounds database ~millions Parameter / scoring settings Software methods ~10 EGEE tutorial, Seoul

21 Drug Discovery Data Challenge4 July – 26 August 2005, incl. testing 2 weeks using commercial docking software 3 weeks using free (but slower) docking software Phase A: 90 packets launched (~ jobs; 5 to >25 hours each) ~ 20 CPU years (800 to >1000 CPUs concurrently used) 5800 correct results collected (rest are still running…) file error or failures: 23%  resubmitted 500 GB of data produced Phase B: 60 packets launched (~30000 jobs; 10 to >25 hours each) ~ 40 CPU years 1 TB will be produced Final data production: 1,5 TB EGEE tutorial, Seoul

22 Drug Discovery Data Challenge (II)Number of docked ligands vs. time Status 25 July 2005 EGEE tutorial, Seoul

23 Medical imaging GATE Radiotherapy planningImprovement of precision by Monte Carlo simulation Processing of DICOM medical images Objective: very short computation time compatible with clinical practice Status: development and performance testing Grid Added Value: parallelisation reduces computing time CDSS Clinical Decision Support System Assembling knowledge databases Using image classification engines Objective: access to knowledge databases from hospitals Status: from development to deployment, some medical end users Grid Added Value: ubiquitous, managed access to distributed databases and engines EGEE tutorial, Seoul

24 Medical imaging SiMRI3D 3D Magnetic Resonance Image SimulatorMRI physics simulation, parallel implementation Very compute intensive Objective: offering an image simulator service to the research community Status: parallelised and now running on EGEE resources Grid Added Value: enables simulation of high-res images gPTM3D Interactive tool to segment and analyse medical images A non gridified version is distributed in several hospitals Need for very fast scheduling of interactive tasks Objectives: shorten computation time using the grid Interactive reconstruction time: < 2min and scalable Status: development of the gridified version being finalized Grid Added Value: permanent availability of resources EGEE tutorial, Seoul

25 Generic Applications EGEE Generic Applications Advisory Panel (EGAAP)UNIQUE entry point for “external” applications Reviews proposals and make recommendations to EGEE management Deals with “scientific” aspects, not with technical details Generic Applications group in charge of introducing selected applications to the EGEE infrastructure 6 applications selected so far: Earth sciences (earth observation, geophysics, hydrology, seismology) MAGIC (astrophysics) Computational Chemistry PLANCK (astrophysics and cosmology) Drug Discovery E-GRID (e-finance and e-business) GRACE (grid search engine, ended Feb 2005) EGEE tutorial, Seoul

26 Earth sciences applicationsEarth Observations by Satellite Ozone profiles Solid Earth Physics Fast Determination of mechanisms of important earthquakes Hydrology Management of water resources in Mediterranean area (SWIMED) Geology Geocluster: R&D initiative of the Compagnie Générale de Géophysique A large variety of applications ported on EGEE which incites new users Interactive Collaboration of the teams around a project EGEE tutorial, Seoul

27 MAGIC Ground based Air Cerenkov Telescope 17 m diameter Physics Goals:Origin of VHE Gamma rays Active Galactic Nuclei Supernova Remnants Unidentified EGRET sources Gamma Ray Burst MAGIC II will come 2007 Grid added value Enable “(e-)scientific” collaboration between partners Enable the cooperation between different experiments Enable the participation on Virtual Observatories EGEE tutorial, Seoul

28 Computational ChemistryThe Grid Enabled Molecular Simulator (GEMS) Motivation: Modern computer simulations of biomolecular systems produce an abundance of data, which could be reused several times by different researchers.  data must be catalogued and searchable GEMS database and toolkit: autonomous storage resources metadata specification automatic storage allocation and replication policies interface for distributed computation EGEE tutorial, Seoul

29 Planck On the Grid: Complex data structure The Grid as> 12 time faster (but ~5% failures) Complex data structure  data handling important The Grid as collaboration tool common user-interface flexible environment new approach to data and S/W sharing EGEE tutorial, Seoul

30 Grid middleware The Grid relies on advanced software, called middleware, which interfaces between resources and the applications The GRID middleware: Finds convenient places for the application to be run Optimises use of resources Organises efficient access to data Deals with authentication to the different sites that are used Runs the job & monitors progress Recovers from problems Transfers the result back to the scientist EGEE tutorial, Seoul

31 EGEE Middleware gLite First release of gLite end of March 2005Focus on providing users early access to prototype Release 1.1 in May 05 Release 1.2 in July 05 see Interoperability & Co-existence with deployed infrastructure Robust: Performance & Fault Tolerance Service oriented approach Open source license EGEE tutorial, Seoul

32 EGEE Middleware Intended to replace present middleware with production quality services Developed from existing components Aims to address present shortcomings and advanced needs from applications Prototyping short development cycles for fast user feedback Initial web-services based prototypes being tested LCG-1 LCG-2 gLite-1 gLite-2 Globus 2 based Web services based Application requirements EGEE tutorial, Seoul

33 Architecture & Design Design team includesRepresentatives from middleware providers (AliEn, Condor, EDG, Globus,…) Colleagues from the Operations activity Partners from related projects (e.g. OSG) gLite development takes into account input and experiences from applications, operations, related projects Effective exchange of ideas, requirements, solutions and technologies Coordinated development of new capabilities Open communication channels Joint deployment and testing of middleware Early detection of differences and disagreements gLite is not “just” a software stack, it is a “new” framework for international collaborative middleware development EGEE tutorial, Seoul

34 User information & supportMore than 140 training events across many countries >2000 people trained induction; application developer; advanced; retreats Material archive online with >200 presentations Public and technical websites constantly evolving to expand information available and keep it up to date 3 conferences organized ~ Cork ~ Den Haag ~ Athens Pisa: 4th project conference October ’05 EGEE tutorial, Seoul

35 Collaborations EGEE closely collaborates with other projects, e.g.Flooding Crisis (CrossGrid) demonstrated at 3rd EGEE conference in Athens Simulation of flooding scenarios Display in Virtual Reality Optimize data transport  won prize for “best demo” Collaboration with Slowak Academy of Sciences EGEE tutorial, Seoul

36 EGEE as partner Ongoing collaborations EGEE as incubatorwith non-EU partners: US, Israel, Russia, Korea, Taiwan… MoU with the Chonnam–Kangnung–Sejong–Collaboration project (CKSC) Strong relationship KISTI (Korea Institute of Science and Technology Information), developing into partnership for EGEE II with other European projects, in particular: GÉANT DEISA SEE-GRID with non-European projects: OSG: OpenScienceGrid (USA) NAREGI (Japan) International Grid Trust Federation EU-GridPMA joining with Asia-Pacific and American counterparts EGEE as incubator 18 recently submitted EU proposals supported More proposals in next calls and national funding programmes EGEE tutorial, Seoul

37 Related projects under negotiationName Description Common partners with EGEE BalticGrid EGEE extension to Estonia, Latvia, Lithuania KTH – PSNC – CERN EELA EGEE extension to Brazil, Chile, Cuba, Mexico, Argentina CSIC – UPV – INFN – CERN – LIP – RED.ES EUChinaGRID EGEE extension to China INFN – CERN – DANTE – GARR – GRNET EUMedGRID EGEE extension to Malta, Algeria, Morocco, Egypt, Syria, Tunisia, Turkey INFN – CERN – DANTE – GARR – GRNET – RED.ES ISSeG Site security CERN – CSSI – FZK – CCLRC eIRGSP Policies CERN – GRNET ETICS Repository, Testing CERN – INFN – UWM ICEAGE Repository for Training & Education, Schools on Grid Computing UEDIN – CERN – KTH – SZTAKI BELIEF Digital Library of Grid documentation, organisation of workshops, conferences UWM BIOINFOGRID Biomedical INFN – CNRS Health-e-Child Biomedical – Integration of heterogeneous biomedical information for improved healthcare CERN Exact budget and partner roles to be confirmed during negotiation EGEE tutorial, Seoul

38 From Phase I to II From 1st EGEE EU Review in February 2005: EGEE I“The reviewers found the overall performance of the project very good.” “… remarkable achievement to set up this consortium, to realize appropriate structures to provide the necessary leadership, and to cope with changing requirements.” EGEE I Large scale deployment of EGEE infrastructure to deliver production level Grid services with selected number of applications EGEE II Natural continuation of the project’s first phase Emphasis on providing an infrastructure for e-Science  increased support for applications  increased multidisciplinary Grid infrastructure  more involvement from Industry Extending the Grid infrastructure world-wide  increased international collaboration (Asia-Pacific is already a partner!) EGEE tutorial, Seoul

39 Conclusions I Grids are a powerful new tool for science – as well as other fields Grid computing has been chosen by CERN and HEP as the most cost effective computing model Several other applications are already benefiting from Grid technologies (biomedical is a good example) Investments in grid projects are growing world-wide Europe is strong in the development of Grids also thanks to the success of EGEE and related projects EGEE tutorial, Seoul

40 Conclusions II Collaboration across national and international programmes is very important: Grids are above all about collaboration at a large scale Science is international and therefore requires an international computing infrastructure EGEE I and II are always open to further collaboration The Asia-Pacific region is very important for EGEE and the EU CKSC is a partner in EGEE, and along with KISTI will form the Korean Federation in EGEE II EGEE is interested in discussing possible future new collaborations EGEE tutorial, Seoul

41 Contacts EGEE Website How to join EGEE Project Office How to join EGEE Project Office EGEE tutorial, Seoul

42 Thanks for the opportunity to present EGEE to all of you and for your kind attention! EGEE tutorial, Seoul