CANS2006, 12/7/2006 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 PRAGMA: A Framework For Collaborations

CANS2006, 12/7/2006 Overview PRAGMA –Goal and approach Collaborations –In testbed Applications and middleware –With technology teams security, data, sensor network, Rocks, Optputer –With science teams GEON, GLEON, bioscience –With other Grids GIN-OPS, Peer grids –In education and training PRIME, PRIUS, NBCR institute Looking forward for more collaborations

CANS2006, 12/7/ 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

CANS2006, 12/7/2006 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

CANS2006, 12/7/2006 PRAGMA Grid Testbed 29 Clusters from 26 institutions in 14 countries/regions (+9 in preparation) UZurich Switzerland KU NECTEC 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

CANS2006, 12/7/2006 Applications Achieved long run and scientific results –Savannah/Nimrod, MU, Australia –TDDFT/Ninf-G, FMO/Ninf-G, AIST, Japan Successful run –MM5/Mpich-Gx, CICESE/KISTI, Mexico/Korea 12 applications continue run in testbed, various middleware and scientific domains –Savannah/Nimrod: climate model, MU, Australia –MM5/Mpich-Gx: climate model, CICESE, Mexico –QM-MD, FMO/Ninf-G: quantum-mechanics, AIST, Japan –iGAP/Gfarm/CSF: genomics, UCSD, USA –HPM: genomics, IOIT-HCM, Vietnam –mpiBlast/Mpich-G2: genomics, ASGC, Taiwan –Gamess-APBS/Nimrod: organic chemistry, UZurich, Switzerland –Siesta/Nimrod: molecular simulation, UZurich, Switzerland –Amber/Rsh: molecular simulation, USM, Malaysia

CANS2006, 12/7/2006 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

CANS2006, 12/7/2006 Grid security –IGTF accredition APGrid PMA, AIST, ASGC, CNIC, NCSA, … PRAGMA CA, catch-all –GSI credential management Naregi-CA (Naregi, Japan) GAMA (SDSC, USA) Computation + data + sensor –Gfarm-fuse (TsukubaU/AIST, Japan) –Grid monitoring and accounting (ThaiGrid, NTU Singapore) –GEON data network –GLEON sensor network Rocks and middleware –Ninf-G, SCE, Gfarm, Bio, K*Rocks, Condor, … AIST, ThaiGrid, NBCR, KISTI, UWSC, … –Rocks (SDSC, USA) OptIPuter –High performance networked TDW (CalIT2/UCSD, KISTI, AIST, OsakaU, NCHC, CNIC, …) Collaborations With Technology Teams

CANS2006, 12/7/2006 CNIC UCSD TDW/OptIPuter Example Source: Elaine Liu, PRIME 2006

CANS2006, 12/7/2006 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

CANS2006, 12/7/2006 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  Internationalization of GEON – iGEON  PRAGMA  Some sites already working on geoscience projects  Building a datagrid  Welcome geoscience applications  Seeking collaboration in grid interoperation

CANS2006, 12/7/2006 PRAGMA and GEON/iGEON collaboration Sharing data, software know-how, interoperate grids Geoscience workgroup established at PRAGMA11 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

CANS2006, 12/7/2006 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

CANS2006, 12/7/2006 New Paradigm: Global Team Science U.Waikato D.Hamilton Models NCHC F.P.Lin Maintain YYL Parallelize Codes U.Wisconsin T.Kratz Maintain Trout Bog Lake Metabolism UCSD F.Vernon, S.Peltier, T.Fountain P.Arzberger ROADNet, Telescience Moore Fnd, PRAGMA NIGLAS B.Q Qin Maintain Taihu Physical Limnology Kangwon U B.Kim Maintain Soyang Public Policy

CANS2006, 12/7/2006 BU (USA) –Joining PRAGMA grid testbed –Preparing a sensor network application to run in the testbed NCHC (Taiwan) –preparing a sensor application to run in testbed PRAGMA Grid + GLEON sensor network –link GLEON sites to PRAGMA testbed computing and data grids Collaboration with GLEON Lake Taihu Nanjing Institute of Geography and Limnology, Chinese Academy of Science

CANS2006, 12/7/2006 GIN – a project under OGF GIN testbed (started Feb. 2006) –PRAGMA, TeraGrid, EGEE, OSG, NorduGrid Applications –TDDFT/Ninf-G Yoshio Tanaka, Yusuke Tanimura (AIST, Japan) Deployed and run –PRAGMA - AIST, NCSA, SDSC –TeraGrid – ANL –OSG – UCSD –NorduGrid Working on deployment to EGEE –Savanah fire simulation (data intensive) Colin Enticott (MU, Australia) Started in GIN testbed Grid Interoperation Now (GIN)

CANS2006, 12/7/2006 GIN Testbed Monitoring Infrastructure testing matrix –SCMSWeb (by Thaigrid) –Working with PRAGMA Grid, TeraGrid, OSG, NorduGrid, EGEE –New version to handle various grid service configurations/tests GIN map –Implemented a XML-> LDIF translator for GIN map –Collaboration of ThaiGrid and CERN Cross-grid monitoring - Common schema –Working with PRAGMA Grid, TeraGrid, OSG, NorduGrid, EGEE

CANS2006, 12/7/2006 Peer Grids Interoperations PRAGMA application developers running applications across grids –QM/MD by AIST, run on PRAGMA Grid and TeraGrid Talking with OSG, LSU, UCGrid –Running applications across grids Bi-directional Develop a minimum set of tools to enable interoperation

CANS2006, 12/7/2006 PRIME 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 Demo’s and talks Continuing research involvement thereafter

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

CANS2006, 12/7/2006 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

CANS2006, 12/7/2006 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

CANS2006, 12/7/2006 More Collaborations Forward Testing Gfarm with applications More peer grids interoperation experiments More collaborations with science teams –GEON, GLEON, CAMERA, … More collaboration with technology groups –Meta-schedulling, portal, … Greater use of the network –Using optical networks and tile display walls Cyber-environment More exchange of students, replicate PRIME, PRIUS More trainings Globally, especially with technology and science teams in China

CANS2006, 12/7/2006 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

CANS2006, 12/7/ pragma -grid.net Thank You PRAGMA is supported by the National Science Foundation (Grant No. INT , INT , OCI ), and member institutions PRIME is supported by the National Science Foundation under NSF INT