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JOINT EU-IndiaGRID/CompChem GRID Tutorial on chemical and material science applications | (smr 2095)
Go to day
  • Monday, 15 September 2008
    • 14:00 - 14:10 Introduction to the workshop
      • 14:00 Introduction to the workshop 10'
        Speaker: Stefano Cozzini (CNR/INFM Democritos)
    • 14:10 - 14:30 Self-presentation by participants
      • 14:10 Self-presentation by participants 20'
    • 14:30 - 15:00 introduction to grid computing
      • 14:30 introduction to grid computing 30'
        Speaker: Stefano Cozzini
        Material: slides
    • 15:00 - 15:50 introduction to gLite middleware
      • 15:00 introduction to gLite middleware 50'
        Speaker: Stefano Cozzini (CNR/INFM Democritos)
        Material: slides
    • 16:00 - 16:30 coffee break
      • 16:00 coffee break 30'
    • 16:30 - 19:00 Hands on session 
      Check-out this page: 

http://www.democritos.it/cluster-wiki/index.php/Training%40GridSeed
  • Tuesday, 16 September 2008
    • 09:00 - 09:50 Porting experiences of computational applications on the Grid
      • 09:00 Porting experiences of computational applications on the Grid 50'
        Speaker: Cal Loomis
        Material: slides
    • 09:50 - 10:40 the Grid empowered molecular simulator GEMS
      • 09:50 the Grid empowered molecular simulator GEMS 50'
        Speaker: Antonio Lagana' (University of Perugia)
        Material: slides
    • 10:45 - 11:15 Tea&Coffe Break
      • 10:45 Tea&Coffe Break 30'
    • 11:15 - 12:05 Ab initio electronic structure calculations on the Grid
      • 11:15 Ab initio electronic structure calculations on the Grid 50'
        Speaker: Mariuzs Sterzel
        Material: abstract misc
    • 12:05 - 12:55 How to port computational applications on the GRID
      • 12:05 How to port computational applications on the GRID 50'
        Speaker: Stefano Cozzini
        Material: slides
    • 12:55 - 14:00 Lunch
      • 12:55 Lunch 1h5'
    • 14:00 - 14:40 XML formats for data
      • 14:00 XML formats for data 40'
        Speaker: Stefano Evangelisti
        Material: slides
    • 14:40 - 16:00 Guided Hands-on: 
      Review of the exercises proposed in day one
demo how to use smp resources on the grid
      • 14:40 Guided Hands-on: 1h20'
        Speaker: Stefano Cozzini/Riccardo di Meo
        Material: web page
    • 16:00 - 16:30 Tea&Coffee Break
      • 16:00 Tea&Coffee Break 30'
    • 16:30 - 19:00 free hands-on session 
      Participants are supposed to work on their own computational problems with the help of tutors
      • 16:30 free hands-on session 2h30'
    • 19:30 - 21:00 Conference Reception
      • 19:30 Conference Reception 1h30'
  • Wednesday, 17 September 2008
    • 09:00 - 09:50 Biased Exchanged Metadynamics and the GRID
      • 09:00 Biased Exchanged Metadynamics and the GRID 50'
        Speaker: Fabio Pietrucci/ Riccardo di Meo (Sissa /EU-IndiaGrid project)
        Material: slides
    • 09:50 - 10:40 Reactive scattering and molecular dynamics calculations
      • 09:50 Reactive scattering and molecular dynamics calculations 50'
        Speaker: Alessandro Costantini (University of Perugia)
        Material: slides
    • 10:45 - 11:15 Tea&Coffe Break
      • 10:45 Tea&Coffe Break 30'
    • 11:15 - 12:05 The Q/Espresso suite and the GRID
      • 11:15 The Q/Espresso suite and the GRID 50'
        Speaker: Paolo Giannozzi (University of Udine and CNR/INFM Democritos)
        Material: slides
    • 12:05 - 12:55 GRID Molecular Dynamics: A multiple shooting algorithm for an extended phase space sampling and long time dynamics
      • 12:05 GRID Molecular Dynamics: A multiple shooting algorithm for an extended phase space sampling and long time dynamics 50'
        Speaker: S. Farantos
    • 12:55 - 14:00 Lunch
      • 12:55 Lunch 1h5'
    • 14:00 - 16:00 Guided hands-on session 
      Review of the work done the day before
Client/server architecture demo
      • 14:00 Guided hands-on session 2h0'
        Speaker: Stefano Cozzini/Riccardo di Meo
    • 16:00 - 16:30 Tea&Coffee Break
      • 16:00 Tea&Coffee Break 30'
    • 16:30 - 19:00 Free Hands-on session 
      Participants are supposed to work on the grid-enabling procedure of their own problems
      • 16:30 Free Hands-on session 2h30'
  • Thursday, 18 September 2008
    • 09:00 - 09:50 Indian Grid experiences in Comp/Chem and material science
      • 09:00 Indian Grid experiences in Comp/Chem and material science 50'
        Speaker: Bhalachandra Pujari (University of Pune)
        Material: slides
    • 09:50 - 10:40 CSCS experience in computational chemistry and material science
      • 09:50 CSCS experience in computational chemistry and material science 50'
        Speaker: Peter Kunszt (CSCS, Manno, Switzerland)
    • 10:45 - 11:15 Tea&Coffee Break
      • 10:45 Tea&Coffee Break 30'
    • 11:15 - 12:45 Presentation from participants
      • 11:15 Presentation from participants 1h30'
    • 12:45 - 12:55 closing remarks
      • 12:45 closing remarks 10'
        Speaker: Stefano Cozzini
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