1. M. Paganoni, APAN29, Feb 11 th, 2010 1 Marco Paganoni INFN, Italy APAN 29 conference Sydney, Feb. 11 th, 2010 EUAsiaGrid

2. M. Paganoni, APAN29, Feb 11 th, 2010 2 Partners 1Istituto Nazionale di Fisica Nucleare (Italy) (coordinator) 2CESNET (Czech Republic) 3University of Manchester (United Kingdom) 4HealthGrid (France) 5Ateneo de Manila University (Philippines) 6Australia National University (Australia) 7Academia Sinica (Taiwan) 8Advanced Science and Technology Institute (Philippines) 9Hydro and Agro Informatics Institute (Thailand) 10Infocomm Development Authority (Singapore) 11Institute of Information Technology (Vietnam) 12Institute Teknologi Bandung (Indonesia) 13 National Electronics and Computing Technology Center (Thailand) 14University Putra Malaysia (Malaysia) 15MIMOS Berhad (Malaysia) 16Institut de la Francophonie pour l'Informatique (Vietnam) 17National University of Singapore (Singapore)

3. M. Paganoni, APAN29, Feb 11 th, 2010 3 Breakdown in work packages Work PackageTitleWP Coordinator WP1Project managementINFN (M. Paganoni) WP2Requirement capture and coordination policy definition UNIMAN (A. Voss) WP3Support of scientific applicationsCESNET (L. Matyska) WP4DisseminationASGC (V. Huang) WP5TrainingINFN (M. Fargetta)

4. M. Paganoni, APAN29, Feb 11 th, 2010 4 Challenges of the Project First Grid project targeting Asia-Pacific region Geographically large and culturally diverse area Uneven levels of adoption of Grids Wide range of scientific domains addressed Consolidate on traditional areas and engage new communities Dissemination, Training and Support for applications must create a virtuous cycle Sustainability of the e-infrastructure Need to define accurately a roadmap for the future (NGI, MoU ?) Need to train the trainers to trigger teaching from local groups

5. M. Paganoni, APAN29, Feb 11 th, 2010 5 Project impact in the 1 st year Results from SPR and Survey First assessment in the AP region of requirements from scientific communities and resources from project partners “Catch all” VO allows wide area outreach Crossing the borders between nations and disciplines Letters of support from stakeholders in Taiwan, Thailand and Malaysia Underlining the engagement from partners All groups of people (basic users, system administrators, application developers) addressed with training Events directly organized by the project and steering of local events

6. M. Paganoni, APAN29, Feb 11 th, 2010 6 Starting point for 2 nd year Valuable data challenges achieved or launched Avian Flu DC2 refinement (results presented at ISGC09) Earthquake simulation Dengue fever drug discovery Not only single applications but also complex workflows supported High value of the potential results Addressing rare and neglected deseases Mitigating natural disaster human and economic effects Interesting new scientific domains joining the effort Digital Culture and Heritage (triggered by Malaysia and Taiwan) Interest in Engineering and Physical Sciences (coming out from the survey)

7. M. Paganoni, APAN29, Feb 11 th, 2010 7 WP2 / Roadmap Roadmap definition and implementation for sustainability First workshop on July 25 th in Kuala Lumpur, co-located with APAN28 and EUAsiaGrid CB Outline roadmap structure and discuss sharing of work Follow-up by teleconference over summer and 2 nd roadmap meeting in Sep., to reach consensus on a final roadmap by end of project Issues for the roadmap  Policy Drivers  Funding Streams and Mechanisms  Stakeholder Analysis  Exisiting Initiatives and Infrastructures  Coordination Mechanisms

8. M. Paganoni, APAN29, Feb 11 th, 2010 8 WP3 / Applications Continue support for the identified communities Focus on the benefit of international collaboration (EU – AP) Identify new areas by analysis of Survey full results Plan special attention to the Physical/Engineering areas Elaborate Natural Disaster Mitigation subtask Dengue Fever Drug Discovery data challenge Earthquake simulation data challenge Work with WP5, for the planning of training events “Keep an eye” on trained scientists Support trainers Interoperability with desktop-computing Huge interest, low entry and operation costs Some doubts on usability for mission critical deployment

9. 9 EUAsia VO Generic, application neutral, regional VO for AP regionGeneric, application neutral, regional VO for AP region Based on “catch-all” approach established in EGEE for researchers from any discipline with a simplified registration procedureBased on “catch-all” approach established in EGEE for researchers from any discipline with a simplified registration procedure Resources in EUAsia VO (~600 cpu and 65 TB) About 200 users All partners have UI to access resources All partners have set up RA/CA Name of Institution CPU(Core s) Disk(GB ) IT_INFN-CT100460 CZ_CESNET728754 ID_ITB115 MY_UPM126983 MY_UM24134 MY_MIMOS1401246 PH_ASTI5610 PH_ADMU130 TW_AS10051200 TH_HAII21083 TH_NECTEC41474 VN_IFI8733 VN_IOIT4733

10. Applications already supported by EGEE –Computational Chemistry –Social Science –Bioinformatics and Biomedical research –High Energy Physics –Mitigation of natural disasters Newly identified areas –Digital culture and heritage –Weather forecast and climatology –Mathematical modelling –Biodiversity Supported Applications

11. 11 EUAsiaGrid Virtual Screening Service

12. 12 Avian Flu Data Challenge overview 8 NA targets –Close and open conformations from PDB –Mutations at E119V, H274Y, R292K 20,000 compounds + 12 positive controls (inhibitor, eg. Ostelamivir ) 2-step pipeline –DC2 phase I to quickly filter out 90% non-interesting compounds (~ 46 CPU years and 183GB storage): in processing post-processing to find the 20,000 compounds on EGEE Biomed DC2 refined step to refine the rest 10% (~ 3 CPU years) on EUAsiaGrid – first key milestone for fostering the e-Science applications in Asia Docking program –Autodock v3 GAP Virtual Screening Docking system –DIANE2, GANGA and AMGA with improved environment for data analysis (integrated with GAP developed by ASGC)

13. 13 Dengue Fever Data Challenge Objective Reduce time and money for drug discovery by Grid in silico simulation 2.5B people are at risk, 50M cases/year in more than 100 countries 95% cases are children < 15 yrs in South-East Asia Milestones –Validate the Pilot run – M15 –Data Challenge on Dengue Fever (NS3 protease structure with ZINC compound library) – M18 –Pilot new designed target structure for in silico simulation – M18 –Post data analysis for the NS3 target – M20 –1 st step wet-lab study – M22 –Deploy the VSS on Asia@home – M18 –Enhance the GVSS with APBS – M22

14. 14 Dengue Fever Data Challenge /2 Grid Computing environment –EuAsia VO –GAP Virtual Screening Service (GVSS) –ASGC provides the core services: GAP-VQS, DIANE2, AMGA, SE User requirements –CA –EuAsia VO –GAP VQS account –Download and install GVSS client package –Registered CDI compounds’ data sets

15. Dengue Fever Data Challenge / 1 st result 15 Total number of completed docking jobs 300,000 Estimated needed computing power 4,167 CPU*days Duration of the experiment 60 days Cumulative number of Grid jobs 4,015 Total Computing Recourses in EUAsia VO 268 Cores Number of used Computing Elements 6

16. Earthquake sensor network –real-time earthquake data collection –collaboration with currently available facilities local or international ones Seismic wave propagation analysis –integration of analysis model –accurate topographical / geological data Earthquake data center –extension/integration/coordination with SeisGrid in Taiwan Earthquake simulation

17. Drug Discovery - DC 1.Avian Flu - DC2 refined 8 avian-flu mutant targets from EGEE DC28 avian-flu mutant targets from EGEE DC2 20,000 highest scored ligands from EGEE DC2 results20,000 highest scored ligands from EGEE DC2 results 2.Dengue fever Dengue NS3 targetDengue NS3 target 300,000 ligands which are prepared from ZINC.300,000 ligands which are prepared from ZINC. 17 Number of dockingsCPU time CPU-cores used on EUAsia VO Status 120,0003 years125 Completed 2300, 00012 years125 Completed

18. M. Paganoni, APAN29, Feb 11 th, 2010 18 Grid-based International Network for Flu Obervation (g-INFO) Institut de la Francophonie pour l'Informatique (IFI), Hanoi, Vietnam Goal: Dynamically analyze the influenza molecular biology data, made available on public databases using computing, storage and automatic updating services offered by grid technology. Status: The Information System based on AMGA has been rebuilt to automatically synchronize public influenza databases like NCBI with grid resources. Definition and deployment through the WISDOM Production Environment of a workflow to analyse new virus sequenced: 1) Alignment 2) Curation 3) Phylogeny 4) Tree Capture of user requirements, close work with an epidemiologist Website: http://g-info.healthgrid.org/http://g-info.healthgrid.org/ Plans: Upgrade the pipeline Upgrade the web portal with friendly visualization 18

19. M. Paganoni, APAN29, Feb 11 th, 2010 19 Telemedicine Platform (HOPE) Institute of Applied Mechanics and Informatics (IAMI), Vietnam Goal: Help physicians to overcome several medical issues like storing, sharing exchanging, analysing image in a secure way using Grid technology, especially for retinopathy and glaucoma studies Status: Deployment and configuration of the HOPE Platform (Hospital Open Software platform for E-Health) 20 DICOM/JPEG images to be processed within the platform + corresponding metadata Plans Deploy grid-based Monte-Carlo dosimetric simulation on uploaded images Enroll new hospitals Develop new porlets 19

20. M. Paganoni, APAN29, Feb 11 th, 2010 20 Virtual screening for drugs from Vietnamese natural product sources Institute of Natural Products Chemistry (INPC), Hanoi, Vietnam (outside Consortium) Goal: Grid-enabled the study of the potential inhibitory action of chemical compounds extracted from Vietnamese natural products, on important diseases Status: Chemist from INPC spent one month in France (CNRS, HealthGrid) Definition of a project-specific structure for the WISDOM Information System (based on the AMGA metadata catalogue) Workflow definition: 1) First docking 2) Q.S.A.R 3) Second docking “Docking grid service” deployed on the WISDOM Production Environment Plans Collect informations about all chemicals extracted from Vietnamese natural compounds to populate the Information System Select targets of interest Deploy large scale virtual screening on grid 20

21. M. Paganoni, APAN29, Feb 11 th, 2010 21 Earthquake Simulation Objectives Dense sensor networks + historical data + simulation model  accurate simulation Seismic wave propagation analysis to reduce potential impacts Planning for real time hazard mitigation Methodology Realize regional seismic wave simulation model over gLite mw Validate accurate wave simulation country by country, and implement case studies on disaster mitigation Seismic sensor networking and data federation Roadmap Porting on Grid of seismic wave propagation analysis – M18 Case Studies – M22 Feasibility Analysis for tsunami disaster mitigation – M23

22. M. Paganoni, APAN29, Feb 11 th, 2010 22 Earthquake Simulation / collaboration

23. M. Paganoni, APAN29, Feb 11 th, 2010 23 Earthquake Simulation / Plans Facilitate understanding of ground motion mechanism, rupture process, velocity structure and topographic characteristics GeoGrid framework as the basis gLite + GAP + DIANE + GANGA Portal for data & analysis services Earthquake Monitoring & Simulation Earthquake Data Center prototype Resource Estimation: 100 CPU*month, 10-30 TB Collaboration also with EU experience (Italy, Greece)

24. M. Paganoni, APAN29, Feb 11 th, 2010 24

25. M. Paganoni, APAN29, Feb 11 th, 2010 25

26. M. Paganoni, APAN29, Feb 11 th, 2010 26 Planned activities from WP4 Production of new dissemination materials EUAsiaGrid Applications Leaflet Update and maintain dissemination materials Brochure, Fact Sheet, Poster and Presentation template EUAsiaGrid websites (public/wikis) Events organization and participation Expand promotion to scientific events attended by new potential users of the grid Continue to collaborate with other WPs and associated EU projects to increase multi-channel outreach Publication of results iSGTW as main EUAsiaGrid media partner (F. Grey) Promote the publication of project’s achievements on peer-reviewed journals and proceedings of non-ICT conferences (2 papers already !)

27. M. Paganoni, APAN29, Feb 11 th, 2010 27 Provided Training and Audience Basic users Developers System Administrators New Trainers Grid Knowledge and Background Audience Application specific Training for trainers Users Administrator Tutorial categories Tutorial complexity and duration

28. M. Paganoni, APAN29, Feb 11 th, 2010 28 28 Training events already organised by EUAsiaGrid:Training events already organised by EUAsiaGrid: EUAsiaGrid Training Event at MIMOSEUAsiaGrid Training Event at MIMOS Kuala Lumpur, Malaysia, 28-31 July 2008 Kuala Lumpur, Malaysia, 28-31 July 2008 Grid Camp 2008 at ASGCGrid Camp 2008 at ASGC Taiwan, Taipei: 18-24 October 2008 Taiwan, Taipei: 18-24 October 2008 EUAsiaGrid / EGEE tutorial at ASGCEUAsiaGrid / EGEE tutorial at ASGC Taiwan, Taipei: 18 April 2009 Taiwan, Taipei: 18 April 2009 EUAsiaGrid Summer SchoolEUAsiaGrid Summer School Kuala Lumpur, Malaysia, 27 Jul-8 Aug 2009 Kuala Lumpur, Malaysia, 27 Jul-8 Aug 2009 ACGRID school in Vietnam (with CNRS)ACGRID school in Vietnam (with CNRS) Hanoi, Vietnam, 27 Sept-03 Oct 2009 Hanoi, Vietnam, 27 Sept-03 Oct 2009 5-9 Oct, Taipei, “Train the trainers”5-9 Oct, Taipei, “Train the trainers” Taiwan, Taipei: 05-09 October 2009 Taiwan, Taipei: 05-09 October 2009 ACGRID school in Malaysia (in cooperation with CNRS)ACGRID school in Malaysia (in cooperation with CNRS) Kuala Lumpur, Malaysia, 02-14 Noveber 2009 Kuala Lumpur, Malaysia, 02-14 Noveber 2009 Partners will organize local training eventsPartners will organize local training events Online school has been heldOnline school has been held Training events

29. M. Paganoni, APAN29, Feb 11 th, 2010 29 Provenance by country

30. M. Paganoni, APAN29, Feb 11 th, 2010 30 Tutorials Feedback Quality level of tutorials provided by EUAsiaGrid is comparable to that of other EU projects

31. M. Paganoni, APAN29, Feb 11 th, 2010 31 Cumulative Tutorial Attendance

32. M. Paganoni, APAN29, Feb 11 th, 2010 32 Training material collection Training material of GILDA accessible from EUAsiaGrid web site –http://www.euasiagrid.euhttp://www.euasiagrid.eu Tutorials presentations available on the agenda web pages –The list of training events can be found at: http://www.euasiagrid.org/index.php?option=com_events&task=view_ cat&offset=1&catid=40&Itemid=44 http://www.euasiagrid.org/index.php?option=com_events&task=view_ cat&offset=1&catid=40&Itemid=44 EUAsiaGrid wiki with additional information –Wiki page at: http://www.euasiagrid.org/wiki/ http://www.euasiagrid.org/wiki/

33. M. Paganoni, APAN29, Feb 11 th, 2010 33 Online training Following reviewers recommendation for “online training” and “follow up of training”: New section for training documents available in the EUAsiaGrid web, with material selected and classified to simplify access A dedicated wiki for training is available with exercises and step-by-step tutorial both for Users and System Administrators Survey being addressed to people already trained to follow up their Grid activities

34. M. Paganoni, APAN29, Feb 11 th, 2010 34 Conclusions The project, despite its complexity and a slower start has catched up well, by managing risks and overcoming obstacles through clear identification of priorities and leadership in key areas Now we have to focus on applications and sustainability, up to the end of the project (June 30 th, 2009) Roadmap towards a robust, scalable and sustainable e- Infrastructure in the Asia-Pacific region Will gather key partners in a JRU to participate into CHAIN, a proposal submitted to EU for worldwide support for e-Infrastructure

35. M. Paganoni, APAN29, Feb 11 th, 2010 35 Thanks for your attention! marco.paganoni@mib.infn.it http://www.euasiagrid.eu/