jacek kitowski institute of computer science agh-ust ack cyfronet agh, cracow , poland

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PL-Grid : National Grid Initiative in Poland for supporting Computational Science in the European Research Space. Jacek Kitowski Institute of Computer Science AGH-UST ACK CYFRONET AGH, Cracow , Poland in collaboration with PL-Grid Representatives - PowerPoint PPT Presentation

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  • PL-Grid:National Grid Initiative in Polandfor supporting Computational Science in the European Research Space

    Jacek KitowskiInstitute of Computer Science AGH-UST ACK CYFRONET AGH, Cracow, Poland

    in collaboration with PL-Grid Representatives

    Micha Turaa, Kazimierz Wiatr, Marian Bubak, Tomasz Szepieniec, Marcin Radecki, Jacek Niwicki, Alex Kusznir, Zofia Mosurska, Mariusz SterzelPiotr Baa, Wojciech Wilicki, Norbert Meyer, Krzysztof Kurowski, Jzef Janyszek, Bartomiej Balcerek, Mcisaw Nakonieczny, Rafa Tylman

    ..NEC 2009: XXII International Symposium on Nuclear Electronics and Computing Varna, September 7-14, 2009

  • National Grid Initiative in Poland in a nutshellMotivationSystematic approach to establishing the Consortium and NGIRationales and FoundationsInternational CollaborationStatusPL-Grid ProjectInfrastructureWorkpackagesActivitiesGrid Examples Summary

    OutlineE-Science approach to research Integration activities ongoing in the world

  • Need for e-Science Approachin spite of complexity: Computing, Storage, InfrastructureE-Science: collaborative research supported by advanced distributed computationsMulti-disciplinary, Multi-Site and Multi-NationalBuilding with and demanding advances in Computing/Computer SciencesGoal: to enable better research in all disciplinesSystem-level Science: beyond individual phenomena, components interact and interrelateto generate, interpret and analyse rich data resourcesFrom experiments, observations and simulationsQuality management, preservation and reliable evidenceto develop and explore models and simulationsComputation and data at all scalesTrustworthy, economic, timely and relevant resultsto enable dynamic distributed collaborationFacilitating collaboration with information and resource sharingSecurity, trust, reliability, accountability, manageability and agility

    M. Atkinson, e-Science (...), Grid2006 & 2-nd Int.Conf.e-Social Science 2006, National e-Science Centre UKI. Foster, System Level Science and System Level Models, Snowmass, August 1-2, 2007

  • Thanks to CYFRONET activity five High Performance Computing Polish Centres analysed according to:Participation in International and National Projects and CollaborationNeeds by Polish Scientific CommunitiesComputational resources to dateEuropean/Worldwide integration ActivitiesNational Network Infrastructure ready (thanks to Pionier National Project)Rationales behind PL-Grid Consortium

  • ~35 international projects FP5, FP6, FP7 on Grids (50% common)Grid Projects: Crossgrid, Gridstart, GridLAB, Unicore, EGEE I,II,III, K-WfGrid, Coregrid, Virolab, Gredia, int.eu.grid, Eurogrid, Grip, Unigrids, Balticgrid I,II, Gridlab, Intelligrid, Ringrid, Brein, Beingrid, Qoscosgrid, Chemomentum, EUChinagrid, PRACE, ~15 Polish projects (50% common)Pionier, Progress, SGIgrid, Clusterix, NDS, Platon, IT-SOA, Powiew, NewMAN...Close collaboration with Institute of Computer Science AGH-UST

    Participation in Projects and Collaboration

  • Need by Polish Scientific Communities Distribution of Polish publications in period 01.2004 04.2008 according toScience Citation Index Expanded + Social Science Citation Index + Arts &Humanities Citation Index

    Scientific Community / Representative% Polish publicationsWarsaw / ICM29,0 %Cracow / Cyfronet16,4 %Wrocaw / WCSS11,1 %Pozna / PCSS10,1 %Gdask / TASK6,8 %SUM73,4 %Poland100 %

  • Partners Resources to DateTOP500 Nov.2008 Polish Sites

  • Partners Resources to DateTOP500 June 2009 Polish Sites

  • PL-Grid Consortium Founders Academic Computer Center Cyfronet AGH (ACK CYFRONET AGH) Coordinator Pozna Supercomputing and Networking Center (PCSS) Wrocaw Centre for Networking and Supercomputing (WCSS) Academic Computer Center in Gdask (TASK) Interdisciplinary Center for Math. and Computat. Modelling, Warsaw University (ICM)

  • PL-Grid Foundations SummaryMotivationE-Science approach to research EGI initiative ongoing in collaboration with NGIs

    Milestones:Creation of Polish Grid (PL-Grid) Consortium: http://plgrid.plConsortium Agreement signed in January 2007PL-Grid Project (2009-2012)Application in Operational Programme Innovative Economy, Activity 2.3 (in Sept. 2008)Get funded March 2, 2009 (via European Structural Funds)

    Consortium made up of five largest Polish supercomputing and networking centres (founders)ACK CYFRONET AGH (Cracow) Coordinator Polish Infrastructure for Supporting Computational Science in the European Research Space

    Response to the needs of Polish scientists and ongoing Grid activities in Poland, other European countries and all over the world

  • AssumptionsPolish Grid is going to have a common base infrastructure similar to solutions adopted in other countries.Specialized, domain Grid systems including services and tools focused on specific types of applications will be built upon this infrastructure.These domain Grid systems can be further developed and maintained in the framework of separate projects. Such an approach should enable efficient use of available financial resources.Creation of a Grid infrastructure fully compatible and interoperable with European and World Grids thanks to cooperation with teams involved in the development of European Grid systems (EGI, EGEE, DEISA, OMII, C-OMEGA, ESFRI).Plans for HPC and Scalability Computing enabled.Tighly-coupled activities

    PL-Grid Base Points

  • Elements and FunctionalityPL-Grid software will comprise:user tools (portals, systems for applications management and monitoring, result visualization and other purposes, compatible with the lower-layer software used in PL-Grid);software libraries;virtual organization systems: certificates, accounting, security, dynamic ;data management systems: metadata catalogues, replica management, file transfer;resource management systems: job management, applications, grid services and infrastructure monitoring, license management, local resource management, monitoring.

    Three Grid structures will be maintained:production, reseach, development/testing.

  • ChallengesShort termTo start establishing PL-Grid VO using Partners local and EGEE resourcesTo provide resources for covering operational costsTo select computational/storage resources for PL-Grid infrastructureLong term continously To provide the necessary infrastructure (!!) Computer rooms, electrical power, many organizational issues Be prepared / work on approaching paradigms and integration developmentHPC and Scalable Computing (Capability and Capacity Computing)Clouds (internal-external, computing clouds, data clouds)SOA paradigm, knowledge usage Future Internet as defined by EC in Workprogramme

  • The PL-Grid Project is split into several workpackages Planned Realization of Aims

  • WP1: Management and Organizations

  • WP2: Planning of Infrastructure Development

    HardwareAnalysis of users requirementContinuous analysis of worldwide activity in infrastructure development and vendors offersExpecting results: Current activity: organization of pilot PL-Grid VO using EGEE infrastructureCurrent and long-term activity: Analysis of hardware trends and offersRecommendation from analysis: technical details of clusters with x86 processors

  • WP3: Operations Centers tasks

    Coordination of OperationManagement and accountingEGI and DEISA collaboration (Scalability and HPC Scalability Computing)Users requirements analysis for operational issuesRunning infrastructure for:ProductionDevelopersResearch to consider:

    Computational CloudData CloudInternal and External CloudsVirtualization aspects

  • WP4: Grid Software and Users Tools

    Workpackage on Development/ResearchAnalysis of users requirementsSoftware repository (different tools and components developed by Partners)Reengineering of tools and applications (legacy codes, APIs, SOA applications)Workflows, applications compositionsVirtual Laboratory (component applications, workflows, applications monitoring) from EU FP6 Virolab ProjectHigh-level virtual organizations construction using knowledge (semi-automatic creation using contract, semantic description of resources, monitoring of SLA due to QoS), data access, output contracts in OWL for security configuration from EU FP6 Gredia ProjectTools for management, proactive monitoring and security (Bazaar, Permis)

    In general: software services, virtualization on various levels (computing, storage, network, operating system)knowledge, semantics,QoS and SLA in various aspectsXaaS (SaaS, HPCaaS, Scalable Computing aaS)

  • WP5: Users Support and Training

    User Interface Running Help-deskIdentification of software and problems with licencesATLAS, ALICE, CMS, LHCb, Gussian Turbolome, NAMD, CPMD, Gamess, Dalton, NWChem. ADFCompass, MOPAC, Blast, ClustalW2, OpenBabel, Macromodel, AutodockCharmm, Compchem, Making commercial software available for the users (license activity)Training, education

  • WP6: Security

    Users support Authorization, authentication, ...Certificates ...

  • Some examplesConcerning applicationsConcerning operational activities*

    EGEE-II INFSO-RI-031688

    t.szepieniec@cyfronet.plGAUSSIAN in GridGaussian VO created supported by several Partners (EGEE activity)

    Accepted by Vendor

    Registration: https://voms.cyf-kr.edu.pl:8443/vo/gaussian/vomrs

    Computational ChemistryVO Manager: Mariusz Sterzel (CYFRONET), EGEE II Comput. Chemistry coordinator m.sterzel@cyfronet.plACK: Tomasz Szepieniec, Mariusz Sterzel

    t.szepieniec@cyfronet.pl

    EGEE-II INFSO-RI-031688

    t.szepieniec@cyfronet.plBiotechnology in GridACK: Irena Roterman, Jagiellonian University, Tomasz SzepieniecNever Born Protein Folding

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