EUChinaGRID Applications Fabio Polticelli Computational Biochemistry Lab - University Roma Tre EUChinaGRID WP4-Applications Manager Budapest, 4.10.2007

“Pilot” applications EGEE ARGO NBP Application ATLAS and CMS support Data mover MEDEA++ Corsika NBP Application Rosetta Early/Late Stage

Deployment of CMS and ATLAS applications on EUChinaGRID pilot infrastructure EGEE applications The Large Hadron Collider (LHC), currently being built at CERN near Geneva, is the largest scientific instrument on the planet. When it begins operations in 2007, it will produce roughly 15 Petabytes (15 million Gigabytes) of data annually, which thousands of scientists around the world will access and analyse. ATLAS (A Toroidal LHC ApparatuS) is one of the five particle detector experiments (ALICE, ATLAS, CMS, TOTEM, and LHCb) being constructed at the Large Hadron Collider, a new particle accelerator at CERN in Switzerland. It will be 45 metres long and 25 metres in diameter, and will weigh about 7,000 tonnes. The project involves roughly 2,000 scientists and engineers at 151 institutions in 34 countries. The construction is scheduled to be completed June, 2007. The experiment is expected to measure phenomena that involve highly massive particles which were not measurable using earlier lower-energy accelerators and might shed light on new theories of particle physics beyond the Standard Model. The Compact Muon Solenoid (CMS) experiment is one of two large general-purpose particle physics detectors being (as of 2006) built on the proton-proton Large Hadron Collider (LHC) at CERN in Switzerland. Approximately 2300 people from 159 scientific institutes form the collaboration building it. It will be located in an underground chamber at Cessy in France, just across the border from Geneva. The completed detector will be cylindrical, 21 metres long and 16 metres diameter and weigh approximately 12500 tonnes. CMS is designed as a general-purpose detector, capable of studying many aspects of proton collisions at 14 TeV, the center-of-mass energy of the LHC particle accelerator. It contains subsystems which are designed to measure the energy and momentum of photons, electrons, muons, and other products of the collisions.

ARGO applications ARGO-YBJ experiment data transfer Large data sets (250 TBytes/year) to be stored and shared by European and Chinese partners. ARGO-YBJ Data Mover. Deploy the applications on the pilot infrastructure Analysis of the data to study gamma ray bursts MEDEA++ Corsika ARGO applications

Biological applications Generate “never born protein” sequences database Port protein structure prediction software on grid Develop web tools for non grid trained users Biological applications KWCWPFASHNDLKVQSQWYVEPPDTIPPYNKYGTNFIKHCQYIAHMQGDTHFFNRVRMHQLWKIIVDCAY Rosetta Early/Late Stage

New applications New applications “presented” by existing partners Realm of the applications enriched by new themes Ranked and selected according to common agreed criteria Porting strategy involving a school on application porting Beijing, October 25th - November 3rd Task force made by partners New applications

Applications Categorization Applications categorized by scientific/technical field Biological applications (2 new) Structural biology Genomics Drug discovery High energy physics applications Astrophysics applications (3 new) Engineering applications (2 new) Applications Categorization

Applications selection criteria Is the application already interfaced to any grid middleware? How much experience do the developers and users have in grid computing? How many people are proposing the application? Are they EUChinaGRID Partners? How many people can work on it? Scientific and/or social impact of the application? Applications selection criteria

Cross Projects Communities Identification High Energy Physics EGEE and EUChinaGRID ATLAS and CMS Structural Biology EGEE, EUChinaGRID, SEEGRID, EELA WISDOM In silico structural genomics Molecular dynamics Docking Protein-Protein Interactions Cross Projects Communities Identification

There is a great room/need for collaboration between projects/communities Redundancy but also complementarity of tools Great synergy possibilities CONCLUSIONS

Thank you for your attention !