1 EGEE Grid in Asia Simon C. Lin Academia Sinica Grid Computing Centre Taipei, Taiwan 16 November 2007 Do-Son ACGrid School in Hanoi, Vietnam

2 e-Science Reminder Definition “e-Science is about global collaboration in key areas of science and the next generation of infrastructure that will enable it.” (by John Taylor, Objectives Support research by e-Science, on data intensive sciences and cross disciplinary collaboration Why e-Science is necessary in Asia The global infrastructure is establishing quickly Take advantage of sharing and collaboration to bridge the gap between Asia and the world To address the challenge of regional cooperation

ISGC2007 Enabling Grids for E-sciencE INFSO-RI Collaborating e-Infrastructures Potential for linking ~80 countries TWGRID “Production” = Reliable, sustainable, with commitments to quality of service

Enabling Grids for E-sciencE EGEE-II INFSO-RI The EGEE project Flagship European grid infrastructure project, now in 2 nd phase with 91 partners in 32 countries Objectives –Large-scale, production-quality grid infrastructure for e-Science –Attracting new resources and users from industry as well as science –Maintain and further improve gLite Grid middleware Structure EGEE: 1 April 2004 – 31 March 2006 EGEE-II: 1 April 2006 – 31 March 2008 –Leveraging national and regional grid activities worldwide –Funded by the EC at a level of ~37 M Euros for 2 years –Support of related projects for infrastructure extension, application, specific services EGEE-III: 1 April 2008 – 31 March 2009 –Reaching self-sustainable state

EGEE07, Budapest, 1-5 October 2007 Enabling Grids for E-sciencE EGEE-II INFSO-RI sites 45 countries 41,000 CPUs 5 PetaBytes >10,000 users >150 VOs >100,000 jobs/day Archeology Astronomy Astrophysics Civil Protection Comp. Chemistry Earth Sciences Finance Fusion Geophysics High Energy Physics Life Sciences Multimedia Material Sciences …

ISGC2007 Enabling Grids for E-sciencE INFSO-RI EGEE Applications HEP: scale & performance testing, 4000 users worldwide, ~10PByte/year, strict deadlines Life Sciences: diverse community, secured access, data encryption, complex workflows Earth Sciences: large community, integration of geospatial services for diverse data sources and formats Computational Chemistry: development of license models, advanced MPI usage, liaison to GEMS project Astronomy & Astrophysics: access to vast databases and catalogs, large sensor networks, support PLANCK, MAGIC & AUGER Fusion: liaison with major Fusion projects (e.g.ITER), EU initiatives (e.g. EUFORIA) and interoperability between grids and supercomputers Grid Observatory: engage computer science community and improve grid reliability/usage

ISGC2007 Enabling Grids for E-sciencE INFSO-RI High Energy Physics Large Hadron Collider (LHC): One of the most powerful instruments ever built to investigate matter 40 Million Particle collisions per second 4 Experiments: ALICE, ATLAS, CMS, LHCb ~15 PetaBytes/year from the 4 experiments First beams in 2007 Mont Blanc (4810 m) Downtown Geneva

Enabling Grids for E-sciencE EGEE-II INFSO-RI translation / step=2.0 Å quaternion / step =20 degree torsion / step= 20 degree number of energy evaluation =1.5 X 10 6 max. number of generation =2.7 X 10 4 run number =50 2D compound library 3D structure “drug-like” Lipinski’s RO5 ionization tautermization 3D structure library structure generation energy minimization 308,585 (6 known drugs) 8 structures (including 1 original type) Targets Compound selection Grid Data Challenge Drug Analysis: Modeling Complex Molecular docking (Autodock) ~137 CPU years, 600 GB data Data challenge on EGEE, Auvergrid, TWGrid ~6 weeks on ~2000 computers

Enabling Grids for E-sciencE EGEE-II INFSO-RI Modified from DDT vol. 3, 4, (1998) focused library screening focused library  hit rate *  cost To improve hit rate $ Modeling as a complement to HTS in drug discovery Can Grid help?

10 History of Grid Drug Discovery on Avian Flu 1st WISDOM data challenge on Malaria (autumn in 2005) pre-activity before the 1st EGEE user forum (1 month work during the Christmas holiday in 2005) DIANE/GANGA technology Contacting biologists for the user case 1st EGEE user forum (March 2006) Where the biologist (application users) and grid engineers (resource providers) met 1st avian flu data challenge 2 weeks for preparation 6 weeks for real execution started from April 2006 data analysis and post process Long process in collecting the distributed data In-vitro test 2nd avian flu data challenge Development phase addressing the issues Deployment and test the new environment Start the production from end of August 2007

11 ASGC Large Hadron Collider (LHC) Avian Flu Drug DiscoveryGrid Application Platform Worldwide Grid Infrastructure Asia Pacific Regional Operation Center

12 TWGrid Introduction Consortium Initiated and hosted by ASGC in 2002 Objectives Gateway to the Global e-Infrastructure & e-Science Applications Providing Asia Pacific Regional Operation Services Fostering e-Science Applications collaboratively in AP Dissemination & Outreach Taiwan Grid/e-Science portal Providing the access point to the services and demonstrate the activities and achievements Integration of Grid Resources of Taiwan VO of general Grid applications in Taiwan NTCU

13 EGEE Asia Federation is Extending the gLite Infrastructure, currently led by ASGC Engaging more user communities to join worldwide e-Science collaboration Building regional e-Infrastructure and e-Science application Conducting and supporting a production e- Infrastructure Working together to provide better user support Conducting more business and industry cooperations for new business model and opportunity

Enabling Grids for E-sciencE EGEE-II INFSO-RI Production Infrastructure AsiaPacific Regional Operation Center (APROC) Mission –Provide deployment support facilitating Grid expansion –Maximize the availability of Grid services Supports EGEE sites in Asia Pacific since April 2005 –21 production sites, 8 countries –9 sites joined EGEE since last year Resources –2,047 CPU cores, and 500 TB disk space currently –Will have 3500 CPU Cores and close to 2 PB disks by end of 2007 –Provide 3.5 Milion KSI2K-hours in last 12 months

Enabling Grids for E-sciencE EGEE-II INFSO-RI Joining EGEE Infrastructure Contact APROC: If domestic CA is not available –Register as a ASGCCA RA –Obtain user and host certificates Dedicated an administrator with Unix experience Allocate servers Study user guide and installation manual Send configuration file to APROC for review before deployment Complete registration and certification process

16 Long Term Operations Establish domestic CA if none exists Increase availability and resource levels Establish domestic operations structure Operations procedures Tools: monitoring and notification, ticketing system User and administrator support Training for administrators and users Collaborate with APROC in Regional operations Support VOs of application development and production service separately

17 Grid Application of Interests in Asia

18 EUAsiaGrid Identify and engage scientific communities which can benefit from the use of state-of-art Grid technologies; Disseminate EGEE middleware in Asian countries by means of public events and written and multimedia material; Provide training resources and organise training events for potential and actual Grid users; 18 Support the scientific applications and create a human network of scientific communities by building on and leveraging the e-Science Grid infrastructure.

19 Work Packages of EUAsiaGrid WP1: Project administrative and technical management WP2: Requirement capture and coordination policy definition To collect from the scientific communities of the Asian countries their computing and storage requirements, To develop a model for the promotion of sustainable National Grid initiatives To define a roadmap towards a common e-Science Asian Grid infrastructure WP3: Support of scientific applications To give support to EGEE applications, selected on the basis of already existing collaborations between EU and Asian partners To identify new user communities which could profit of the Asian e-Infrastructure. To provide support for adaptation of the regional applications on top of the gLite MW WP4: Dissemination To enhance the awareness about the EUAsiaGrid project and the Grid paradigm in Asia To facilitate the information and experience exchange for the potential new research communities and encourage them to use the e-Infrastructure for their applications To promote EUAsiaGrid as a Grid service facilitator to the user communities among Asia WP5: Training To train the technical personnel to manage the e-Infrastructure and the user applications by using the Grid tools effectively To foster the use of the Grid e-Infrastructure by the scientific communities in the Asian countries

20 Summary e-Science envisages a whole new way of doing collaborative science For the sustainable Grid e-Infrastructure, we have to focus more on community building rather than just offering technologies. Asia Pacific Region has great potential to adopt the e- Infrastructure : More and more Asia countries will deploy Grid system and take part in the e-Science world However, applications of and for the Asia Pacific scientists are largely in lack which is crucial!! Extending from EGEE Asia Federation to EUAsiaGrid, we are widening the uptake of e-Science, by the close collaboration regionally and internationally