Cindy Zheng, Geon Workshop, 7/20/2006 PRAGMA Grid A Multi-Application Route-Use Global Grid Cindy Zheng PRAGMA Grid Coordinator P acific R im A pplication and G rid M iddleware A ssembly University of California, San Diego San Diego Supercomputer Center

Cindy Zheng, Geon Workshop, 7/20/2006 Overview PRAGMA –Goals, Characteristics, Working groups, Workshops PRAGMA Grid testbed –Goals, Characteristics, Resources –Applications –Application middleware –Infrastructure middleware –Benefit summary Multi-Grid interoperation –Goals, Resources –Applications –Infrastructure testing matrix –Lessons learned Forward

Cindy Zheng, Geon Workshop, 7/20/2006 PRAGMA Goals –Open international organization –Grid applications, practical issues –Build international scientific collaborations Members and community –28 institutional members, 11 countries –>38 inst. >14 countries are actively involved Characteristics –No central funding, but mutual interests –Build friendship, trust, help, community –Do, act Working groups –Bio, data, resources, telescience, geosciences, … Semi-annual Workshops

Cindy Zheng, Geon Workshop, 7/20/2006 The PRAGMA Steering Committee

Cindy Zheng, Geon Workshop, 7/20/2006 Pragma Grid testbed and Routine-basis Experiements Goal – make grid easier for scientists to use, by improving –middleware interoperability –Global grid usability and productivity Method –For applications. Let applications drive –More organized testbed operation –Full-scale and integrated testing/research –Long application runs –Learn issues, develop/research/test solutions Manners –Grass-roots –Voluntary, contribute of resources and work –long term, persistent –Inclusion: don’t have to be PRAGMA member or pacific rim –General science grid

Cindy Zheng, Geon Workshop, 7/20/2006 PRAGMA Grid Resources

Cindy Zheng, Geon Workshop, 7/20/2006 PRAGMA Grid Testbed AIST OSAKAU TITECH Japan CNIC GUCAS China KISTI Korea ASCC NCHC Taiwan UoHyd India MU Australia BII IHPC NGO Singapore KU NECTEC Thailand NCSA USA SDSC USA CICESE Mexico UNAM Mexico UChile Chile QUT Australia UZurich Switzerland JLU China MIMOS USM Malaysia IOIT-HCM Vietnam BU USA UMC USA

Cindy Zheng, Geon Workshop, 7/20/2006 PRAGMA Grid Software Layers

Cindy Zheng, Geon Workshop, 7/20/2006 Applications Real science, multi-applications (11) –TDDFT: quantum-chemistry, AIST, Japan –Savannah: climate model, MU, Australia –MM5: climate model, CICESE, Mexico –QM-MD, FMO: quantum-mechanics, AIST, Japan –iGAP: genomics, UCSD, USA –HPM: genomics, IOIT-HCM, Vietnam –mpiBlast: genomics, ASCC, Taiwan –Gamess-APBS: organic chemistry, UZurich, Switzerland –Siesta: molecular simulation, UZurich, Switzerland –Amber: molecular simulation, USM, Malaysia Learn –How to grid-enable, run –Application needs, issues

Cindy Zheng, Geon Workshop, 7/20/2006 Grid Application Middleware  Why grid application middleware Enable applications to run on grid(s) Make easier  Example grid application middleware development/testing Ninf-G (AIST, Japan) Nimrod/G (Monash University, Australia) Mpich-Gx (KISTI, Korea)

Cindy Zheng, Geon Workshop, 7/20/2006 Ninf-G Developed by AIST, Japan Support GridRPC model which will be a GGF standard Integrated to NMI release 8 (first non-US software in NMI) Ninf roll for Rocks 4.x is also available 3 applications ran in PRAGMA grid and 1 ran on GIN testbed (multi-grids) –TDDFT –QM/MD –FMO Achieved long runs (1 week ~ 50 days) Improved fault-tolerance (papers) - hang Simplified deployment procedures Speed-up development cycles

Cindy Zheng, Geon Workshop, 7/20/2006 Nimrod/G Developed by Monash University, Australia Supports large scale parameter sweeps on Grid infrastructure Easy user interface - portal 3 applications ran in PRAGMA grid and 1 will run in GIN testbed (multi-grids) –Savanah climate simulation (MU) –GAMESS/APBS (UZurich) –Siesta (UZurich) Achieved long runs (90 different scenarios of 6 weeks each Improved fault-tolerance (innovate time_step) Speed-up enhancements

Cindy Zheng, Geon Workshop, 7/20/2006 Mpich-Gx KISTI, Korea Grid-enabled MPI, support –Private IP –Fault tolerance Application run on KGrid –MM5 Climate simulation CICESE, Mexico

Cindy Zheng, Geon Workshop, 7/20/2006 Infrastructure Middleware Why grid infrastructure middleware –Provide grid services –Make grid easier to use and manage Example grid infrastructure middleware –Grid file system Gfarm (AIST, Japan) –Grid monitoring system SCMSWeb (Kasetsart University, Thailand) –Grid accounting system MOGAS (Nanyang Technological University, Singapore)

Cindy Zheng, Geon Workshop, 7/20/2006 Gfarm – Grid Virtual File System -Developed by AIST, Japan -High performance, scalable grid file system -Support Linux, Solaris; also scp, gridftp, SMB -Meta-server, file replication, Gfarm-FUSE -Ease user/application setup, file sharing (CSA), fault tolerance -6 sites, 3786 GBytes, 1527 MB/sec (70 I/O nodes) -Tested with iGAP, large number of files, performance up >10x

Cindy Zheng, Geon Workshop, 7/20/2006 SCMSWeb Developed by Kasetsart University, Thailand Web-based monitoring system for clusters and grid –System usage, functional/performance metrics, job/queue status Easy user interface, rapid support Testing in PRAGMA grid, get user feedbacks and sites help –Speed-up development, enhancement, platform support expansion –Improve fault tolerance, functionalities, user interface –Popularize the software GIN, common schema

Cindy Zheng, Geon Workshop, 7/20/2006 Multi-organisation Grid Accounting System Developed by NTU, Singapore Resource usage based on project/individual/organization Daily, weekly, monthly, yearly Pie charts and detail job logs Metering and charging tool, easily customizable pricing system Database and data analysis tools Run on 17 sites in PRAGMA testbed Improved interface to various globus and local schedulers

Cindy Zheng, Geon Workshop, 7/20/2006 PRAGMA Grid Brings Together People –Hands-on learning to make grid work Software development –Heterogeneity and reality check –Check software Integration and interface both horizontally and vertically –User feedback steers better direction –Popularize grid software Collaborations –Naregi-CA (AIST, Japan) and Gama (SDSC, USA) Integration –Rocks (SDSC, USA) and SCE (KU, Thailand), Ninf-G (AIST, Japan), Gfarm (AIST), KRocks (KISTI, Korea) –PRAGMA and NLANR –PRAGMA and GEON –PRAGMA testbed and sensor networks (NCHC, Taiwan; Binghamton University, USA) –… GAMA

Cindy Zheng, Geon Workshop, 7/20/2006 Grid Interoperation Now (GIN) GIN testbed (started Feb. 2006) –PRAGMA, TeraGrid, EGEE, OSG, NorduGrid Applications –TDDFT/Ninf-G Lead: Yoshio Tanaka, Yusuke Tanimura (AIST, Japan) Deployed and run –PRAGMA - AIST, NCSA, SDSC –TeraGrid – ANL Working on deployment to EGEE, OSG and NorduGrid –Savanah Study Lead: Colin Enticott (MU, Australia) Infrastructure testing matrix –Cindy Zheng (SDSC, USA) and Somsak Sriprayoonsakul (KU, Thailand) Use SCMSWeb

Cindy Zheng, Geon Workshop, 7/20/2006 Lessons Learned Differences among grids –Organization structures –Authentication (GSI, VOMS) –Job submission (GRAM, Gridftp) –Software stacks Takes a lot of learning to understand Takes a lot of work to interoperate Resolved some problems (GSI-VOM, GT2-GT4) Stimulated new initiatives (Cross grid monitoring) Learned some from each other (Community Software Area) Many more still yet to work on (File sharing, easy user access, direction and standards)

Cindy Zheng, Geon Workshop, 7/20/2006 Forward More resources –More computational resources GUCAS, China; UMC, USA; … –Add data resources (geo, atro, bio, …) –Add sensor network resources NCHC, Taiwan; BU, USA; … More applications –Geoscience (Mian Liu, Huai Zhang) More and better grid middleware –Credential management systems (SDSC, USA; Naregi, Japan) –Portals (NCHC, Taiwan; QUT, Australia; …) –Meta-schedulers (AIST, Japan; IHPC, Singapore; …) More grids interoperation –More grids –More applications –More collaboration on grid technology research and development

Cindy Zheng, Geon Workshop, 7/20/2006 One Possible Collaboration with AIST

Cindy Zheng, Geon Workshop, 7/20/2006 Collaborations with GSCAS and CNIC GSCAS (Shi Yaolin, Huai Zhang), U Missouri (Mian Liu), UCSD (Chaitan Baru, Cindy Zheng), CNIC (Kai Nan) –Develop PRAGMA/iGEON Node at GSCAS –Develop initial parallel finite element codes –Run a geodynamics models on this cluster and then the PRAGMA testbed –Ensure user-friendly, Web interfaces to access and execute finite element codes developed by China on PRAGMA grid as well as TeraGrid

Cindy Zheng, Geon Workshop, 7/20/2006 Collaborations with U Hyderabad Collaborators A. Agarwal, K.V. Subbarao (U Hyderabad) and Chaitan Baru (UCSD) Establish GEON node at U Hyderabad Experiment with sharing data Register new datasets

Cindy Zheng, Geon Workshop, 7/20/2006 Other Collaborations Exchanges: –Calit2 –Students (PRIME) –GEON willing to support this OptIPuter

Cindy Zheng, Geon Workshop, 7/20/2006 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

Cindy Zheng, Geon Workshop, 7/20/2006 Thank You Everyone is welcome to join us! Either to build grid and/or to run applications.