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Enabling Grids for E-sciencE




                           EGEE-III
                           A presentation for EU officials
                           Status: May 2008




www.eu-egee.org


EGEE-III INFSO-RI-222667
EGEE
                           Enabling Grids for E-sciencE




 Flagship Grid infrastructure project co-funded by the European Commission

   Main Objectives                                                Service &
                                                                                                              Application
   •   Operate a large-scale,                                    Networking                                    support
                                                                   support                                       20%
       production quality Grid                                       50%
       infrastructure for e-Science
                                                                                                                  Training
                                                                                                                    8%

                                                                                           Integration
   •   Attract new resources and                                                           and testing
                                                                                                         Middleware
                                                                                                            5%
       users from sciences as well                                                             9%


       as business
                                                          Dissemination
                                                          & International
                                                                              Management
                                                           Cooperation
                                                                                  2%
                                                                6%

EGEE-III INFSO-RI-222667                                                                                                     2
EGEE-III
                           Enabling Grids for E-sciencE


•   EGEE-III
      – Third phase of the EGEE programme:
              EGEE: April 2004 – March 2006
              EGEE-II: April 2006 – April 2008
      –   Co-funded under European Commission under call INFRA-2007-1.2.3
      –   9010 person months/375 FTEs
      –   2 year period – 1 May 2008 to 30 April 2010
      –   EC Requested Contribution : €32M - represents less than 1/3 of total project costs

•   Key objectives
      – Expand/optimise existing EGEE infrastructure, include more resources and user
        communities
      – Prepare migration from a project-based model to a sustainable federated
        infrastructure based on National Grid Initiatives

•   Consortium
      – Structured on a national basis (National Grid Initiatives/Joint Research Units)
      – 42 beneficiaries (+ 100 JRU members)

EGEE-III INFSO-RI-222667                                                                       3
EGEE-III activities and leaders
                           Enabling Grids for E-sciencE




                                          NA1: Management of the project
                                                Bob Jones, CERN
     NA2: Dissemination, Communication and                        SA1: Grid Operations
                   Outreach                                     Maite Barroso Lopez, CERN
             Catherine Gater, CERN

          NA3: User Training and support                          SA2: Networking Support
            Robin McConnell, UEDIN                                 Xavier Jeannin, CNRS


        NA4: User Community Support and                    SA3: Integration, testing & certification
                   Expansion                                        Oliver Keeble, CERN
               Cal Loomis, CNRS

      NA5: International Cooperation & Policy                  JRA1: Middleware engineering
              Panos Louridas, GRNET                             Francesco Giacomini, INFN




EGEE-III INFSO-RI-222667                                                                               4
EGEE – What do we deliver?
                           Enabling Grids for E-sciencE


•   Infrastructure operation
     – Sites distributed across many countries
           Large quantity of CPUs and storage
           Continuous monitoring of Grid services & automated site
           configuration/management
           Support multiple Virtual Organisations from diverse
           research disciplines

•   Middleware
     – Production quality middleware distributed under business
       friendly open source licence
           Implements a service-oriented architecture that virtualises
           resources
             Adheres to recommendations on web service inter-
             operability and evolving towards emerging standards

•   User Support - Managed process from first contact
    through to production usage
     –   Training
     –   Expertise in Grid-enabling applications
     –   Online helpdesk
     –   Networking events (User Forum, Conferences etc.)
EGEE-III INFSO-RI-222667                                                 5
EGEE – Infrastructure
                           Enabling Grids for E-sciencE




Application areas include:

Archeology
Astronomy
Astrophysics
Civil Protection
Comp. Chemistry
Earth Sciences
Finance                                                                >250 sites
Fusion                                                                 48 countries
Geophysics                                                             >50,000 CPUs
High Energy Physics                                                    >20 PetaBytes
Life Sciences                                                          >10,000 users
Multimedia                                                             >150 VOs
Material Sciences                                                      >150,000 jobs/day
…




EGEE-III INFSO-RI-222667                                                            6
Users and resources distribution
                           Enabling Grids for E-sciencE




  February 2008 figures


EGEE-III INFSO-RI-222667                                       7
gLite Grid Middleware Services
                           Enabling Grids for E-sciencE


                                                                Access
                                                          CLI            API

                  Security
                                                                         Information & Monitoring
       Authorization
                                  Auditing                                Information &   Application
                                                                            Monitoring    Monitoring
       Authentication


           Data Management                                                 Workload Management
        Metadata           File & Replica                 Accounting          Job           Package
        Catalog                Catalog                                    Provenance        Manager

        Storage                 Data                       Site Proxy      Computing       Workload
        Element               Movement                                      Element       Management

Overview paper http://doc.cern.ch//archive/electronic/egee/tr/egee-tr-2006-001.pdf
EGEE-III INFSO-RI-222667                                                                                8
Disciplines and user communities
                                  Enabling Grids for E-sciencE

Astrophysics and astroparticle physics     Biomedical and bioinformatics information   Computational chemistry              Others
argo                                       libi                                        enmr.eu                              aegis
inaf                                       bio                                         trgrida                              apesci
pamela                                     biomed                                      compchem                             astron
astro.vo.eu-egee.org                       embrace                                     gaussian                             cesga
planck                                                                                                                      enea
virgo                                      High Energy Physics                         Infrastructure                       grid-it
magic                                      calice                                      edteam                               gridmosi.ici.ro
auger                                      hone                                        euindia                              lights.infn.it
                                           ific                                        ops                                  ncf
Earth sciences                             ildg                                        pvier                                vo.agata.org
trgridc                                    minos.vo.gridpp.ac.uk                       rdteam                               vo.ipno.in2p3.fr
esr                                        pheno                                       rgstest                              vo.northgrid.ac.uk
                                           supernemo.vo.eu-egee.org                    swetest                              webcom
Geophysics                                 vo.lal.in2p3.fr                             vo.deploymenttest.cea.fr             geant4
egeode                            All user communities are required to contribute
                                           vo.llr.in2p3.fr                             vo.e-ca.es                           imath.cesga.es

Finance
                                           resources to the infrastructure
                                           vo.lpnhe.in2p3.fr
                                           vo.sbg.in2p3.fr
                                                                                       vo.grif.fr
                                                                                       infngrid
                                                                                                                            proactive
                                                                                                                            cosmo
egrid                                      hermes                                      eela                                 crypto.swing-grid.ch
                                           vo.dapnia.cea.fr                            eumed                                diligent
Fusion                                     alice                                       dteam                                cyclops
fusion                                     atlas                                       vo.plgrid.pl                         geclipse
                                           babar                                       balticgrid                           gridcc
                                           belle                                       dech
   ~9000 users                             cdf
                                           cms
                                                                                       see
                                                                                       seegrid

      listed in                            dzero
                                           gridpp
                                                                                       twgrid
                                                                                       trgrida/b/c/d/e

     registered                            ilc
                                           lhcb
                                                                                       voce

                                           na48                                                                   Digital libraries, disaster
         VOs                               zeus
                                           ghep
                                                                                                                     recovery, computational
                                                                                                                            sciences, etc.
                                           desy
         http://cic.gridops.org/index.php?section=home&page=volist
EGEE-III INFSO-RI-222667                                                                                                                        9
Why users choose the EGEE Grid
                           Enabling Grids for E-sciencE



                                             •     Share more than information
                                             •     Efficient use of resources at many institutes
                                             •     Leverage other sources of funding
                                             •     Data, computing power, applications
                                             •     Join local communities




   Challenges:
      • share data between thousands of scientists with multiple
      interests
      • link major and minor computer centres
      • ensure all data accessible anywhere, anytime
      • grow rapidly, yet remain reliable for more than a decade
      • cope with different management policies of different centres
      • ensure data security
      • continuous, production service
EGEE-III INFSO-RI-222667                                                                           10
Why do particle physicists 
                           Enabling Grids for E-sciencE         need the Grid? 1/2
     CERN Large Hadron Collider
     The world’s most powerful particle accelerator




                                                                   4 Large Experiments



                                                           ATLAS

EGEE-III INFSO-RI-222667                                                                 11
Why do particle physicists 
                           Enabling Grids for E-sciencE         need the Grid? 2/2

 Example from LHC:                                        One year’s data
 starting from this event                                 from LHC would
                                                          fill a stack of
                                                          CDs 20km high
                                                                            • ~100,000,000 
                                                                              electronic 
                                                            Concorde          channels
  We are looking for this “signature”                                       • 0.0002 Higgs 
                                                            (15 km)
                                                                              per second
                                                                            • 15 PBytes of 
                                                                              data a year 
                                                                            • (10 Million 
                                                             Mt. Blanc        GBytes = 14 
 Selectivity: 1 in 1013                                      (4.8 km)         Million CDs)
 Like looking for 1 person in a
 thousand world populations;
 or for a needle in 20 million
 haystacks!
EGEE-III INFSO-RI-222667                                                                      12
A question of scale
                           Enabling Grids for E-sciencE




EGEE-III INFSO-RI-222667                                                        13
Recent Grid activity
                           Enabling Grids for E-sciencE

                                                                      In 2007, Worldwide LHC
                                                                      Computing Grid ran ~ 44 M
                                                          300k /day   jobs on different
                                                                      infrastructures (EGEE,
                                                                      NGDF, OSG) with the large
                                                                      majority of them served by
                                       230k /day
                                                                      EGEE – workload has
                                                                      continued to increase
                                                                          29M in 1st quarter of 2008 –
                                                                          now at ~ >300k jobs/day
                                                                      Distribution of work across
                                                                      Tier0/Tier1/Tier2 really
                                                                      illustrates the importance of
                                                                      the Grid system
                                                                          Tier 2 contribution is around
                                                                          50%; > 85% is external to
                                                                          CERN
                These workloads (reported across all WLCG centres) are at the
                            level anticipated for 2008 data taking

EGEE-III INFSO-RI-222667                                                                                  14
In silico drug discovery
                           Enabling Grids for E-sciencE


•   Diseases such as HIV/AIDS, SRAS, Bird Flu etc. are a threat to public
    health due to world wide exchanges and circulation of persons

•   Grids open new perspectives to in silico drug discovery
     – Reduced cost, adding an accelerating factor in the search for new drugs




International collaboration
is required for:
• Early detection
• Epidemiological watch
• Prevention
• Search for new drugs                                         •Avian influenza:
• Search for vaccines                                          •bird casualties




EGEE-III INFSO-RI-222667                                                             15
WISDOM
                           Enabling Grids for E-sciencE


                               http://wisdom.healthgrid.org/




EGEE-III INFSO-RI-222667                                            16
Computational Chemistry
                           Enabling Grids for E-sciencE




 • Researchers from more than 30 universities across
   Europe use EGEE for their work
 • Chemical software ported include commercial
   (Gaussian03, Turbomole, Wien2k) and several freely
   available packages (GAMES, DL_POLY, CPMD, DALTON,
   Columbus etc.)
 • Virtual Organisations:
      – CompChem (http://compchem.unipg.it)
      – Gaussian (http://egee.grid.cyfronet.pl/gaussian)
      – Turbomole (http://egee.grid.cyfronet.pl/turbomole-vo)
 • ~ 3 million jobs executed during year 2007
 • 90+ users actively using EGEE infrastructure


EGEE-III INFSO-RI-222667                                                        17
Computational chemistry example
                           Enabling Grids for E-sciencE


• Cytochrome c Oxydase (CcO) consists of approximately
  10.000 atoms and the dynamics calculations are
  unfeasible on ordinary clusters (2.4 years needed for a
  simulation of 5.2 ns).


                                                          • Grid computations
                                                            – Three structures
                                                              studied
                                                            – Total time - 93 days
                                                            – Nearly 6000 jobs
                                                            – 3043 days of CPU time




EGEE-III INFSO-RI-222667                                                         18
Grid added value
                           Enabling Grids for E-sciencE



   • Grid can help satisfy computational chemistry
     demands:
        – both CPU power and intermediate data storage for future
          restarts
        – easy management for large numbers of jobs (e.g. GANGA)
        – automation of common tasks during job execution via workflows
        – possibility of direct cooperation between computational chemistry
          and other scientific disciplines
                some ligand properties such as geometry, charges etc. can be
                stored on the Grid
                these data can be accessed by others to study interaction between
                ligand and protein for example
        – possibility to execute many parallel jobs at the same time
        – for some commercial software packages, Grid is the only way to
          allowing users access to these programs

EGEE-III INFSO-RI-222667                                                            19
Expanding Geosciences-On-Demand
                           Enabling Grids for E-sciencE
                                                         (EGEODE) services to SMEs
  •   Modern seismic data processing and
      geophysical simulations require greater                                   CGGVeritas market
      amounts of computing power, data storage
      and sophisticated software                                 High Tech.

  •   Difficult for oil & gas small & medium size
      enterprises (SMEs) to exploit innovative
      algorithms                                                                 SMEs market

  •   SME Market: small O&G structures                           Conventional

       – 1035 O&G companies in EU
       – 93% are SMEs; 63% < 10 employees
               Research labs
               Very small projects of large firms




EGEE-III INFSO-RI-222667                                                                       20
EGEE workload in 2007
                             Enabling Grids for E-sciencE




   Data:
   25Pb stored
   11Pb transferred


                                                                                   CPU: 114 Million hours

                                                                                                  CPU
                                                                                         Xfer



                                                                                                          Storage



    Estimated cost if performed with Amazon’s EC2 and S3: $58,690,000 = €37M
http://gridview.cern.ch/GRIDVIEW/same_index.php http://calculator.s3.amazonaws.com/calc5.html? 17/05/08
Paper on Clouds and Grids, May 2008: https://edms.cern.ch/file/925013/4/EGEE-Grid-Cloud-v1_2.pdf

EGEE-III INFSO-RI-222667                                                                                            21
gLite Business Use Cases
                           Enabling Grids for E-sciencE
  •   Adopted gLite on own infrastructure
       – BEinGRID
               Earth Sciences; Finance
       – EU-IndiaGrid
               Financial Stock Analysis application using gLite
       – Health-e-Child
               Biomedical information platform for Paediatrics
       – Imense Ltd
               gLite-based Grid computing for large scale image indexing and retrieval
       – Philips Research
               Using gLite for medical imaging, bio-informatics and simulation
  •   Proof of Concept
       – GridVideo
               gLite-based multimedia application
       – TOTAL, UK
               Application to assess the usefulness of External Grids using GILDA testbed
  •   Application and Development
       – CERN Openlab
               CERN and industrial partners to develop data-intensive Grid solutions
       – WISDOM
            Using EGEE infrastructure for drug discovery
EGEE-III INFSO-RI-222667                                                                    22
Business and EGEE-III
                           Enabling Grids for E-sciencE


 •   Technology Transfer and potential commercial exploitation
      – Further develop the Business Forum as a means of dialog with business
        actors
      – More attention to
              SMEs
              start-ups (innovative applications and portals)
              collaborative projects (partner grids)
      – Develop a network of companies to prepare the future commercial exploitation
        of EGEE technology
              EGEE Business Associates; ISVs; Software integrators and IT Services
              providers


 •   Provide solutions to challenges for Business adoption
      – MoUs signed with related projects and interested partners to develop
        identified higher-level services and solutions (e.g. SLA; Windows porting, ...)
      – Further develop EGEE technology to simplify the interaction between grids
        and commercial cloud services
      – Explain the advantages and limitations of grids & cloud computing to
        businesses

EGEE-III INFSO-RI-222667                                                                  23
Collaborating e-Infrastructures
                           Enabling Grids for E-sciencE




EGEE-III INFSO-RI-222667                                                          24
Evolution
      National




                                       European
                                    e-Infrastructure




       Global
                 Routine Usage
Testbeds                                  Utility Service
                                                       25
European Grid Initiative
                           Enabling Grids for E-sciencE


 •   Need to prepare permanent, common Grid infrastructure
 •   Ensure the long-term sustainability of the European e-Infrastructure
     independent of short project funding cycles
 •   Coordinate the integration and interaction between National Grid
     Infrastructures (NGIs)
 •   Operate the production Grid infrastructure on a European level for a
     wide range of user communities




                                                                         Must be no gap in
                                                                         the support of the
                                                                          production Grid




EGEE-III INFSO-RI-222667                                                               26
Summary
                           Enabling Grids for E-sciencE


•   EGEE operates the world’s largest multi-disciplinary Grid
    infrastructure for scientific research
     – In constant and significant production use
     – Constantly growing in scale of resources and breadth of user communities
        supported


•   A third phase of EGEE has now started
     – EGEE-III 2008-2010


•   Need to prepare the long-term
     – EGEE, collaborating projects, National Grid Initiatives and user
       communities are working to define a model for a sustainable Grid
       infrastructure that is independent of short project cycles

                                                          www.eu-egee.org

EGEE-III INFSO-RI-222667                                                      27

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EGEE 3 Project

  • 1. Enabling Grids for E-sciencE EGEE-III A presentation for EU officials Status: May 2008 www.eu-egee.org EGEE-III INFSO-RI-222667
  • 2. EGEE Enabling Grids for E-sciencE Flagship Grid infrastructure project co-funded by the European Commission Main Objectives Service & Application • Operate a large-scale, Networking support support 20% production quality Grid 50% infrastructure for e-Science Training 8% Integration • Attract new resources and and testing Middleware 5% users from sciences as well 9% as business Dissemination & International Management Cooperation 2% 6% EGEE-III INFSO-RI-222667 2
  • 3. EGEE-III Enabling Grids for E-sciencE • EGEE-III – Third phase of the EGEE programme: EGEE: April 2004 – March 2006 EGEE-II: April 2006 – April 2008 – Co-funded under European Commission under call INFRA-2007-1.2.3 – 9010 person months/375 FTEs – 2 year period – 1 May 2008 to 30 April 2010 – EC Requested Contribution : €32M - represents less than 1/3 of total project costs • Key objectives – Expand/optimise existing EGEE infrastructure, include more resources and user communities – Prepare migration from a project-based model to a sustainable federated infrastructure based on National Grid Initiatives • Consortium – Structured on a national basis (National Grid Initiatives/Joint Research Units) – 42 beneficiaries (+ 100 JRU members) EGEE-III INFSO-RI-222667 3
  • 4. EGEE-III activities and leaders Enabling Grids for E-sciencE NA1: Management of the project Bob Jones, CERN NA2: Dissemination, Communication and SA1: Grid Operations Outreach Maite Barroso Lopez, CERN Catherine Gater, CERN NA3: User Training and support SA2: Networking Support Robin McConnell, UEDIN Xavier Jeannin, CNRS NA4: User Community Support and SA3: Integration, testing & certification Expansion Oliver Keeble, CERN Cal Loomis, CNRS NA5: International Cooperation & Policy JRA1: Middleware engineering Panos Louridas, GRNET Francesco Giacomini, INFN EGEE-III INFSO-RI-222667 4
  • 5. EGEE – What do we deliver? Enabling Grids for E-sciencE • Infrastructure operation – Sites distributed across many countries Large quantity of CPUs and storage Continuous monitoring of Grid services & automated site configuration/management Support multiple Virtual Organisations from diverse research disciplines • Middleware – Production quality middleware distributed under business friendly open source licence Implements a service-oriented architecture that virtualises resources Adheres to recommendations on web service inter- operability and evolving towards emerging standards • User Support - Managed process from first contact through to production usage – Training – Expertise in Grid-enabling applications – Online helpdesk – Networking events (User Forum, Conferences etc.) EGEE-III INFSO-RI-222667 5
  • 6. EGEE – Infrastructure Enabling Grids for E-sciencE Application areas include: Archeology Astronomy Astrophysics Civil Protection Comp. Chemistry Earth Sciences Finance >250 sites Fusion 48 countries Geophysics >50,000 CPUs High Energy Physics >20 PetaBytes Life Sciences >10,000 users Multimedia >150 VOs Material Sciences >150,000 jobs/day … EGEE-III INFSO-RI-222667 6
  • 7. Users and resources distribution Enabling Grids for E-sciencE February 2008 figures EGEE-III INFSO-RI-222667 7
  • 8. gLite Grid Middleware Services Enabling Grids for E-sciencE Access CLI API Security Information & Monitoring Authorization Auditing Information & Application Monitoring Monitoring Authentication Data Management Workload Management Metadata File & Replica Accounting Job Package Catalog Catalog Provenance Manager Storage Data Site Proxy Computing Workload Element Movement Element Management Overview paper http://doc.cern.ch//archive/electronic/egee/tr/egee-tr-2006-001.pdf EGEE-III INFSO-RI-222667 8
  • 9. Disciplines and user communities Enabling Grids for E-sciencE Astrophysics and astroparticle physics Biomedical and bioinformatics information Computational chemistry Others argo libi enmr.eu aegis inaf bio trgrida apesci pamela biomed compchem astron astro.vo.eu-egee.org embrace gaussian cesga planck enea virgo High Energy Physics Infrastructure grid-it magic calice edteam gridmosi.ici.ro auger hone euindia lights.infn.it ific ops ncf Earth sciences ildg pvier vo.agata.org trgridc minos.vo.gridpp.ac.uk rdteam vo.ipno.in2p3.fr esr pheno rgstest vo.northgrid.ac.uk supernemo.vo.eu-egee.org swetest webcom Geophysics vo.lal.in2p3.fr vo.deploymenttest.cea.fr geant4 egeode All user communities are required to contribute vo.llr.in2p3.fr vo.e-ca.es imath.cesga.es Finance resources to the infrastructure vo.lpnhe.in2p3.fr vo.sbg.in2p3.fr vo.grif.fr infngrid proactive cosmo egrid hermes eela crypto.swing-grid.ch vo.dapnia.cea.fr eumed diligent Fusion alice dteam cyclops fusion atlas vo.plgrid.pl geclipse babar balticgrid gridcc belle dech ~9000 users cdf cms see seegrid listed in dzero gridpp twgrid trgrida/b/c/d/e registered ilc lhcb voce na48 Digital libraries, disaster VOs zeus ghep recovery, computational sciences, etc. desy http://cic.gridops.org/index.php?section=home&page=volist EGEE-III INFSO-RI-222667 9
  • 10. Why users choose the EGEE Grid Enabling Grids for E-sciencE • Share more than information • Efficient use of resources at many institutes • Leverage other sources of funding • Data, computing power, applications • Join local communities Challenges: • share data between thousands of scientists with multiple interests • link major and minor computer centres • ensure all data accessible anywhere, anytime • grow rapidly, yet remain reliable for more than a decade • cope with different management policies of different centres • ensure data security • continuous, production service EGEE-III INFSO-RI-222667 10
  • 11. Why do particle physicists  Enabling Grids for E-sciencE need the Grid? 1/2 CERN Large Hadron Collider The world’s most powerful particle accelerator 4 Large Experiments ATLAS EGEE-III INFSO-RI-222667 11
  • 12. Why do particle physicists  Enabling Grids for E-sciencE need the Grid? 2/2 Example from LHC: One year’s data starting from this event from LHC would fill a stack of CDs 20km high • ~100,000,000  electronic  Concorde channels We are looking for this “signature” • 0.0002 Higgs  (15 km) per second • 15 PBytes of  data a year  • (10 Million  Mt. Blanc GBytes = 14  Selectivity: 1 in 1013 (4.8 km) Million CDs) Like looking for 1 person in a thousand world populations; or for a needle in 20 million haystacks! EGEE-III INFSO-RI-222667 12
  • 13. A question of scale Enabling Grids for E-sciencE EGEE-III INFSO-RI-222667 13
  • 14. Recent Grid activity Enabling Grids for E-sciencE In 2007, Worldwide LHC Computing Grid ran ~ 44 M 300k /day jobs on different infrastructures (EGEE, NGDF, OSG) with the large majority of them served by 230k /day EGEE – workload has continued to increase 29M in 1st quarter of 2008 – now at ~ >300k jobs/day Distribution of work across Tier0/Tier1/Tier2 really illustrates the importance of the Grid system Tier 2 contribution is around 50%; > 85% is external to CERN These workloads (reported across all WLCG centres) are at the level anticipated for 2008 data taking EGEE-III INFSO-RI-222667 14
  • 15. In silico drug discovery Enabling Grids for E-sciencE • Diseases such as HIV/AIDS, SRAS, Bird Flu etc. are a threat to public health due to world wide exchanges and circulation of persons • Grids open new perspectives to in silico drug discovery – Reduced cost, adding an accelerating factor in the search for new drugs International collaboration is required for: • Early detection • Epidemiological watch • Prevention • Search for new drugs •Avian influenza: • Search for vaccines •bird casualties EGEE-III INFSO-RI-222667 15
  • 16. WISDOM Enabling Grids for E-sciencE http://wisdom.healthgrid.org/ EGEE-III INFSO-RI-222667 16
  • 17. Computational Chemistry Enabling Grids for E-sciencE • Researchers from more than 30 universities across Europe use EGEE for their work • Chemical software ported include commercial (Gaussian03, Turbomole, Wien2k) and several freely available packages (GAMES, DL_POLY, CPMD, DALTON, Columbus etc.) • Virtual Organisations: – CompChem (http://compchem.unipg.it) – Gaussian (http://egee.grid.cyfronet.pl/gaussian) – Turbomole (http://egee.grid.cyfronet.pl/turbomole-vo) • ~ 3 million jobs executed during year 2007 • 90+ users actively using EGEE infrastructure EGEE-III INFSO-RI-222667 17
  • 18. Computational chemistry example Enabling Grids for E-sciencE • Cytochrome c Oxydase (CcO) consists of approximately 10.000 atoms and the dynamics calculations are unfeasible on ordinary clusters (2.4 years needed for a simulation of 5.2 ns). • Grid computations – Three structures studied – Total time - 93 days – Nearly 6000 jobs – 3043 days of CPU time EGEE-III INFSO-RI-222667 18
  • 19. Grid added value Enabling Grids for E-sciencE • Grid can help satisfy computational chemistry demands: – both CPU power and intermediate data storage for future restarts – easy management for large numbers of jobs (e.g. GANGA) – automation of common tasks during job execution via workflows – possibility of direct cooperation between computational chemistry and other scientific disciplines some ligand properties such as geometry, charges etc. can be stored on the Grid these data can be accessed by others to study interaction between ligand and protein for example – possibility to execute many parallel jobs at the same time – for some commercial software packages, Grid is the only way to allowing users access to these programs EGEE-III INFSO-RI-222667 19
  • 20. Expanding Geosciences-On-Demand Enabling Grids for E-sciencE (EGEODE) services to SMEs • Modern seismic data processing and geophysical simulations require greater CGGVeritas market amounts of computing power, data storage and sophisticated software High Tech. • Difficult for oil & gas small & medium size enterprises (SMEs) to exploit innovative algorithms SMEs market • SME Market: small O&G structures Conventional – 1035 O&G companies in EU – 93% are SMEs; 63% < 10 employees Research labs Very small projects of large firms EGEE-III INFSO-RI-222667 20
  • 21. EGEE workload in 2007 Enabling Grids for E-sciencE Data: 25Pb stored 11Pb transferred CPU: 114 Million hours CPU Xfer Storage Estimated cost if performed with Amazon’s EC2 and S3: $58,690,000 = €37M http://gridview.cern.ch/GRIDVIEW/same_index.php http://calculator.s3.amazonaws.com/calc5.html? 17/05/08 Paper on Clouds and Grids, May 2008: https://edms.cern.ch/file/925013/4/EGEE-Grid-Cloud-v1_2.pdf EGEE-III INFSO-RI-222667 21
  • 22. gLite Business Use Cases Enabling Grids for E-sciencE • Adopted gLite on own infrastructure – BEinGRID Earth Sciences; Finance – EU-IndiaGrid Financial Stock Analysis application using gLite – Health-e-Child Biomedical information platform for Paediatrics – Imense Ltd gLite-based Grid computing for large scale image indexing and retrieval – Philips Research Using gLite for medical imaging, bio-informatics and simulation • Proof of Concept – GridVideo gLite-based multimedia application – TOTAL, UK Application to assess the usefulness of External Grids using GILDA testbed • Application and Development – CERN Openlab CERN and industrial partners to develop data-intensive Grid solutions – WISDOM Using EGEE infrastructure for drug discovery EGEE-III INFSO-RI-222667 22
  • 23. Business and EGEE-III Enabling Grids for E-sciencE • Technology Transfer and potential commercial exploitation – Further develop the Business Forum as a means of dialog with business actors – More attention to SMEs start-ups (innovative applications and portals) collaborative projects (partner grids) – Develop a network of companies to prepare the future commercial exploitation of EGEE technology EGEE Business Associates; ISVs; Software integrators and IT Services providers • Provide solutions to challenges for Business adoption – MoUs signed with related projects and interested partners to develop identified higher-level services and solutions (e.g. SLA; Windows porting, ...) – Further develop EGEE technology to simplify the interaction between grids and commercial cloud services – Explain the advantages and limitations of grids & cloud computing to businesses EGEE-III INFSO-RI-222667 23
  • 24. Collaborating e-Infrastructures Enabling Grids for E-sciencE EGEE-III INFSO-RI-222667 24
  • 25. Evolution National European e-Infrastructure Global Routine Usage Testbeds Utility Service 25
  • 26. European Grid Initiative Enabling Grids for E-sciencE • Need to prepare permanent, common Grid infrastructure • Ensure the long-term sustainability of the European e-Infrastructure independent of short project funding cycles • Coordinate the integration and interaction between National Grid Infrastructures (NGIs) • Operate the production Grid infrastructure on a European level for a wide range of user communities Must be no gap in the support of the production Grid EGEE-III INFSO-RI-222667 26
  • 27. Summary Enabling Grids for E-sciencE • EGEE operates the world’s largest multi-disciplinary Grid infrastructure for scientific research – In constant and significant production use – Constantly growing in scale of resources and breadth of user communities supported • A third phase of EGEE has now started – EGEE-III 2008-2010 • Need to prepare the long-term – EGEE, collaborating projects, National Grid Initiatives and user communities are working to define a model for a sustainable Grid infrastructure that is independent of short project cycles www.eu-egee.org EGEE-III INFSO-RI-222667 27