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Category: List of Bases 2008 2008 Co-sponsored activities Co-sponsored activities
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lecture

Cosponsor(s):

EU-IndiaGRID, CompChem, COST

Start Time:

15 September 2008 at 14:00

Ends On:

18 September 2008

Location:

Trieste - Italy

Venue:

AGH (EKLUND Lab.)

Organizer(s):

Local Organizer in Trieste: A. Nobile

Material:

Day One: introduction to GRID computing

Room: Adriatico Guest House - Eklund Informatics Lab (Lower Level 1)

15 September 2008
14:00
14:10
Introduction to the workshop
10'
Stefano Cozzini
CNR/INFM Democritos
14:10
14:30
Self-presentation by participants
20'
14:30
15:00
introduction to grid computing
30'
Stefano Cozzini
15:00
15:50
introduction to gLite middleware
50'
Stefano Cozzini
CNR/INFM Democritos
16:00
16:30
coffee break
30'
16:30
19:00
Hands on session
02h30'
Check-out this page:

http://www.democritos.it/cluster-wiki/index.php/Training%40GridSeed
Day Two: Experiences and Success stories

Room: Adriatico Guest House - Eklund Informatics Lab (Lower Level 1)

16 September 2008
09:00
09:50
Porting experiences of computational applications on the Grid
50'
Cal Loomis
09:50
10:40
the Grid empowered molecular simulator GEMS
50'
Antonio Lagana'
University of Perugia
10:45
11:15
Tea&Coffe Break
30'
11:15
12:05
Ab initio electronic structure calculations on the Grid
50'
Mariuzs Sterzel
12:05
12:55
How to port computational applications on the GRID
50'
Stefano Cozzini
12:55
14:00
Lunch
01h05'
14:00
14:40
XML formats for data
40'
Stefano Evangelisti
14:40
16:00
Guided Hands-on:
01h20'
Stefano Cozzini/Riccardo di Meo
Review of the exercises proposed in day one
demo how to use smp resources on the grid
16:00
16:30
Tea&Coffee Break
30'
16:30
19:00
free hands-on session
02h30'
Participants are supposed to work on their own computational problems with the help of tutors
19:30
21:00
Conference Reception
01h30'
Day Three: More on experiences and success stories

Room: Adriatico Guest House - Eklund Informatics Lab (Lower Level 1)

17 September 2008
09:00
09:50
Biased Exchanged Metadynamics and the GRID
50'
Fabio Pietrucci/ Riccardo di Meo
Sissa /EU-IndiaGrid project
09:50
10:40
Reactive scattering and molecular dynamics calculations
50'
Alessandro Costantini
University of Perugia
10:45
11:15
Tea&Coffe Break
30'
11:15
12:05
The Q/Espresso suite and the GRID
50'
Paolo Giannozzi
University of Udine and CNR/INFM Democritos
12:05
12:55
GRID Molecular Dynamics: A multiple shooting algorithm for an extended phase space sampling and long time dynamics
50'
S. Farantos
12:55
14:00
Lunch
01h05'
14:00
16:00
Guided hands-on session
02h00'
Stefano Cozzini/Riccardo di Meo
Review of the work done the day before
Client/server architecture demo
16:00
16:30
Tea&Coffee Break
30'
16:30
19:00
Free Hands-on session
02h30'
Participants are supposed to work on the grid-enabling procedure of their own problems
Day Four: experiences from Switzerland and India and wrap-up

Room: Adriatico Guest House - Eklund Informatics Lab (Lower Level 1)

18 September 2008
09:00
09:50
Indian Grid experiences in Comp/Chem and material science
50'
Bhalachandra Pujari
University of Pune
09:50
10:40
CSCS experience in computational chemistry and material science
50'
Peter Kunszt
CSCS, Manno, Switzerland
10:45
11:15
Tea&Coffee Break
30'
11:15
12:45
Presentation from participants
01h30'


Experiences with MILU  10'
slides

Alessandro Costantini
12:45
12:55
closing remarks
10'
Stefano Cozzini
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