1. OSG All Hands, 3/5/2007 Cindy Zheng Peter Arzberger Philip Papadopoulos Mason Katz P acific R im A pplication and G rid M iddleware A ssembly University of California, San Diego http://www.pragma-grid.net http://goc.pragma-grid.net PRAGMA: A Framework For Collaborations

2. OSG All Hands, 3/5/2007 Overview PRAGMA –Goal and approach Collaborations –In testbed Applications and middleware With science and technology teams –With other Grids GIN-OPS, Peer-grids –In education and training PRIME, PRIUS, NBCR institute

3. OSG All Hands, 3/5/2007 http://www. pragma -grid.net Overarching Goals PRAGMA A Practical Collaborative Framework. Strengthen Existing and Establish New Collaborations Work with Science Teams to Advance Grid Technologies and Improve the Underlying Infrastructure In the Pacific Rim and Globally

4. OSG All Hands, 3/5/2007 Overview and Approach Process to Promote Routine Use Team Science Application-Driven Collaborations ApplicationsMiddleware Routine Use Lab/Testbed Testing Applications Building Grid and GOC Multiway Dissemination Key Middleware Workshops and Organization Information Exchange Planning and Review New Collaborations New Members Expand Users Expand Impact Outcomes Improved middleware Broader Use New Collaborations Transfer Tech. Standards Publications New Knowledge Data Access Education

5. OSG All Hands, 3/5/2007 PRAGMA Grid Testbed 31 Clusters from 27 institutions in 14 countries/regions (+8 in preparation) UZurich Switzerland NECTEC ThaiGrid Thailand UoHyd India MIMOS USM Malaysia CUHK HongKong ASGC NCHC Taiwan IOIT-HCM Vietnam AIST OsakaU UTsukuba TITech Japan BII IHPC NGO Singapore MU Australia APAC QUT Australia KISTI Korea JLU China SDSC USA CICESE Mexico UNAM Mexico UCN Chile UChile Chile UMC USA UUtah USA NCSA USA BU USA ASURC Costa Rica BESTGrid New Zealand CNIC GUCAS China AIST SDSC NGO NECTEC ThaiGrid 5 gfarm sites

6. OSG All Hands, 3/5/2007 Applications and Middleware http://goc.pragma-grid.net/applications/default.html http://goc.pragma-grid.net/applications/default.html Real science applications pair and drive middleware development Achieve long-run and scientific results Open to applications of all scientific disciplines –Climate simulation Savannah/Nimrod (MU, Australia) MM5/Mpich-Gx (CICESE, Mexico; KISTI, Korea) –Quantum-mechanics, quantum-chemistry: TDDFT, QM-MD, FMO/Ninf-G (AIST, Japan) –Genomics iGAP/Gfarm/CSF (UCSD, USA; AIST, Japan; JLU, China) HPM: genomics (IOIT-HCM, Vietnam) mpiBlast/Mpich-G2 (ASGC, Taiwan) –Organic chemistry Gamess-APBS/Nimrod (UZurich, Switzerland) –Molecular simulation Siesta/Nimrod (UZurich, Switzerland; MU, Australia) Amber/Rsh ( USM, Malaysia) –Compute Science Load Balancer (VAST-HCM, Vietnam) GriddLeS (MU, Australia)

7. OSG All Hands, 3/5/2007 Mutually beneficial Nimrod based Gamess-APBS –Gamess-APBS: UZurich, Switzerland –Nimrod: MU, Australia Mpich-Gx based MM5 and WRF –MM5 and WRF: CICESE, Mexico –Mpich-Gx: KISTI, Korea Test/develop Gfarm and CSF with iGAP –Gfarm: AIST, Japan –CSF: JLU, China –iGAP: UCSD, USA Application/Middleware Collaborations http://wiki.pragma-grid.net http://goc.pragma-grid.net http://wiki.pragma-grid.nethttp://goc.pragma-grid.net

8. OSG All Hands, 3/5/2007 Grid security –Naregi (Japan), APGrid, GAMA (SDSC, USA) Grid infrastructure –Monitoring - SCMSWeb (ThaiGrid, Thailand) –Accounting - MOGAS (NTU Singapore) –Metascheduling - Community Scheduling Forum (JLU, China) –Cyber-environment - CSE-Online (UUtah, USA) –Rocks and middleware (SDSC, USA; …) Ninf-G, SCE, Gfarm, Bio, K*Rocks, Condor, … Datagrid, sensor, network –Gfarm-fuse (AIST, Japan) –GEON data network –GLEON sensor network –OptIPuter High performance networked TDW Telescience Collaborations With Science and Technology Teams

9. OSG All Hands, 3/5/2007 Controlling @ CNIC Viewing @ UCSD TDW/OptIPuter Example Source: Elaine Liu, PRIME 2006

10. OSG All Hands, 3/5/2007 Collaborations in BioScience Avian Flu Research Project –UCSD, CNIC, JLU, Uni. Of Tskuba/AIST, University of Hawaii and Konkuk University –EGEE – Academia Sinica Biosciences Portal –Collaboration between Osaka University, University of Queensland, JLU, UCSD. –Involves PRIME, PRIUS and summer students from UCSD, Osaka and JLU. Metagenomics Research and Genome Informatics –Bioinformatics, computational biology software –Gfarm/CSF4, TskubaU/JLU, Japan/China –With University of Wisconsin, UCSD, PRIME project

11. OSG All Hands, 3/5/2007 GEON-iGEON-PRAGMA GEON is a coalition among IT and Earth Science researchers with the goal of developing advanced information technologies to enable new modes of geosciences research GEON is developing technologies for information integration and knowledge discovery www.geongrid.org Internationalization of GEON – iGEON PRAGMA Some sites already working on geoscience projects Building a datagrid Welcome geoscience applications Seeking collaboration in grid interoperation

12. OSG All Hands, 3/5/2007 PRAGMA and GEON/iGEON collaboration Sharing data, software know-how, interoperate grids Geoscience workgroup established at PRAGMA11, joint conferences with PRAGMA GUCAS (China) –Setup a GEON node in PRAGMA testbed UMC (USA) and GUCAS –Preparing a GEON application to run in PRAGMA testbed CNIC (China) –Is setting up a GEON data node in PRAGMA testbed UoHyd (India) –has setup a GEON node, will join PRAGMA testbed AIST Geogrid (Japan) plan –Share data with GEON –Interoperate with PRAGMA testbed

13. OSG All Hands, 3/5/2007 Collaboration in Environmental Science GLEON –A grassroots network of People: lake scientists, engineers, information technology experts Institutions: universities, national laboratories, agencies Programs: PRAGMA, AS-Forest Biogeochemistry,US-LTER, TERN, KING, EcoGrid, etc. Instruments Data –Linked by a common purpose and cyberinfrastructure –With a goal of understanding lake dynamics at local, regional, continental, and global scales

14. OSG All Hands, 3/5/2007 Collaborate in Publishing Research Results Some published papers in 2006: Arzberger P, Papadopoulos P. PRAGMA: Example of Grass-Roots Grid Promoting Collaborative EScience Teams. CTWatch. Vol 2, No. 1 Feb 2006. www.ctwatch.org/quarterly/articles/2006/02/pragmaexample-of-grass-roots-grid-promoting- collaborativee-science-teams Abramson D, Lynch A, Takemiya H, Tanimura Y, Date S, Nakamura H, Jeong K, Hwang S, Zhu J, Lu Z, Amoreira C, Baldridge K, Lee H, Wang C, Shih HL, Molina T, Li, W, Arzberger P. Deploying Scientific Applications on the PRAGMA Grid testbed: Ways, Means and Lessons. IEEE/CCGRID International Workshop on Grid Computing, 2006, Singapore. Lee B-S, Tang M, Zhang J, Soon O Y, Zheng C, Arzberger P. Analysis of Jobs on a Multi- Organizational Grid Testbed. IEEE/CCGRID Intl Workshop on Grid Computing, 2006, Singapore. Zheng C, Abramson D, Arzberger P, Ayuub S, Enticott C, Garic S, Katz M, Kwak J, Lee B S, Papadopoulos P, Phatanapherom S, Sriprayoonsakul S, Tanaka Y, Tanimura Y, Tatebe O, Uthayopas P. The PRAGMA Testbed: Building a Multi-Application International Grid. 2005 IEEE/CCGRID International Workshop on Grid Computing, 2006, Singapore. Li WW, Arzberger PW, Yeo CL, Ang L, Tatebe O, Sekiguchi S, Jeong K, Wuang S, Date S, Kwak JH. Proteome Analysis Using iGAP in Gfarm. The Second International Life Science Grid Workshop 2005, Grid Asia 2005, Singapore 2005. Wei X, Ding Z, Li W W, Tatebe O, Jiang J, et al. GDIA: A Scalable Grid Infrastructure for Data Intensive Applications. IEEE Intl Conference on Hybrid Information Technology, ICHIT 2006, Cheju Island, Korea. Krishnan S, Baldridge K K, Greenberg J. P, Stearn B, Bhatia K. An End-to-End Web Services- Based Infrastructure for Biomedical Applications. Proceedings of Grid 2005, 6th IEEE/ACM Intl Workshop on Grid Computing, November 13-14, 2005, Seattle, WA, U.S. …

15. OSG All Hands, 3/5/2007 Grid Interoperation Now (GIN) http://forge.gridforum.org/sf/wiki/do/viewPage/projects.gin/wiki/GinOps OGF – GIN-OPS GIN testbed (February, 2006 – on-going) TDDFT/Ninf-G (PRAGMA - AIST, Japan) –PRAGMA, TeraGrid, OSG, NorduGrid; EGEE Savanah fire simulation (PRAGMA - MU, Australia) –PRAGMA, TeraGrid, OSG Multi-Grid monitoring –SCMSWeb probe matrix (PRAGMA - ThaiGrid, Thailand) –Common schema (PRAGMA, TeraGrid, EGEE, NorduGrid)

16. OSG All Hands, 3/5/2007 PRAGMA->TeraGrid (October, 2006 – on-going) –PRAGMA member runs application across both grids –QM/MD/Ninf-G (AIST, Japan) –Manual reservation, 7 sites in PRAGMA, 3 sites in TeraGrid OSG PRAGMA (January, 2007 – on-going) –Members from both grids run applications across both grids –Applications: OSG –GISolve –spatial Interpolation –UIowa, USA PRAGMA –FMO/Ninf-G –quantum Chemistry –AIST, Japan Peer-grid Interoperation Experiments http://goc.pragma-grid.net/wiki/index.php/Main_Page#Grid_Inter-operations

17. OSG All Hands, 3/5/2007 OSG-PRAGMA Interoperation Experiment http://goc.pragma-grid.net/wiki/index.php/OSG-PRAGMA_Grid_Interoperation_Experiments Resources OSG –FermilabGrid PRAGMA –SDSC, USA –NECTEC, Thailand –NGO, Singapore –ThaiGrid, Thailand Process Jan 4, 2007, identify who and how –Coordinator, application drivers, resource supporters –Wiki, application, requirements Jan 25, 2007, initial VTC –Goals, Q/A exchange Start working –Email immediately issues, solutions –Weekly status, email, wiki Status Feb 26 - March 1, started application runs successfully A set of jobs are processed on the VO, collected, and updated for the next iteration. Learned Differences in grid environment effect users and applications –Job submission Change RSL parameter Remove inter-node parallel execution –Security policy Take work to setup access Account on gatekeeper node Large scale calculations are possible Middleware fault tolerance and flexible resource management is important

18. OSG All Hands, 3/5/2007 PRIME http://prime.ucsd.edu http://prime.ucsd.edu Providing UCSD undergraduate students international interdisciplinary research internships and Cultural experiences Preparing the global work place of the 21 st century Built on top of PRAGMA R&D network and activities for Undergraduate Research A Pilot Project for Global Engagement PRIME Class 2006 Summer research abroad Mentors from UCSD and host institutions Real science and practical projects Learning science, technology and culture Demos and talks Continuing research involvement thereafter

19. PRIME 2006 (Thrid Year) Host Institutions and Projects at a Glance CNIC, China –Virtual Screening of Avian Influenza H5N1 Neuraminidase and Hemagglutinin proteins against two libraries of ligands –High-resolution astronomial visualization and visual collaboration environment MU, Australia –Computational analysis of biological structures using GAMESS-APBS/Nimrod programs –Develop efficient method for large scale virtual screening of ligands –More stable ionic model of ventricular myocytes OsakaU, Japan –Homology modeling of the protein kinases and binding site prediction –Docking simulations of protein kinases and virtual screening of ligands for inhibitors –Established networked Tile Display Wall NCHC, Taiwan –implementing image-processing software for neural networks –Develop software tools for earthquake experiments, monitoring and analysis Prime Students 2006 Hosted by CNIC, China At Lao She Tea House

20. OSG All Hands, 3/5/2007 PRIUS - Pacific Rim International UniverSity Based at Osaka University Establish a consistent educational program for graduate students. On-the-Job-training and education with PRAGMA Lecture course: Stimulate students ambitious Short Abroad Internship: Offer trial opportunities Long Abroad Internship: Provide skill building chances M1 M2 Doc P.D Exchange prgm: produces liquidity in human resource P.D Educational Part Research Part Source: Susumu Date, Osaka University http://prius.ics.es.osaka-u.ac.jp/en/index.html

21. OSG All Hands, 3/5/2007 PRIUS (First Year) 10 International instructors –All from PRAGMA members UCSD, USA NCHC, Taiwan NTU, Singapore QUT, MU, Australia –Grid computing/applications Grid and web services Clustering tools Optical network computing Grid accounting systems Biomedical grid applications Economic and social impact of cyberinfrastructure –Interaction with students Internship abroad –UCSD, USA Develop QM/MM hybrid simulation program for protein research using OPAL –NTU, Singapore Design/prototype a grid security monitoring system as an add-on to MOGAS –QUT, Australia Develop a bioscience portal for PRAGMA –NCHC, Taiwan Implement high-definition-quality streaming video over a high-speed network with various TDW technologies

22. OSG All Hands, 3/5/2007 Future Meeting 20 – 22 March 2007, Bangkok Thailand –PRAGMA 12 Hosted by NECTEC and Thai National Grid Center –18 – 20 March 2007: GEOGrid Workshop Fall 2007, Urbana-Champaign USA –PRAGMA 13 Hosted by NCSA Spring 2008, Hsinchu Taiwan –PRAGMA 14 Hosted by NCHC Fall 2008, Penang Malaysia –PRAGMA 15 Hosted by USM

23. OSG All Hands, 3/5/2007 http://www. pragma -grid.net http://goc.pragma-grid.net Thank You PRAGMA is supported by the National Science Foundation (Grant No. INT- 0216895, INT-0314015, OCI -0627026), and member institutions PRIME is supported by the National Science Foundation under NSF INT 04007508