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Biosciences Working Group Update & Report Back Wilfred W. Li, Ph.D., UCSD, USA Habibah Wahab, Ph.D., USM, Malaysia Hosted by IOIT Hanoi, Vietnam, Oct 29,

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Presentation on theme: "Biosciences Working Group Update & Report Back Wilfred W. Li, Ph.D., UCSD, USA Habibah Wahab, Ph.D., USM, Malaysia Hosted by IOIT Hanoi, Vietnam, Oct 29,"— Presentation transcript:

1 Biosciences Working Group Update & Report Back Wilfred W. Li, Ph.D., UCSD, USA Habibah Wahab, Ph.D., USM, Malaysia Hosted by IOIT Hanoi, Vietnam, Oct 29, 2009

2 Recap of PRAGMA 16 – Daejon, Korea, Mar 2009 Infectious Diseases Research in Cyberinfrastructure (iDRiC Workshop)--KISTI Drugscreener-G – KISTI, Korea Grid Enabled Virtural Screening Service – ASGC, Taiwan CADD Pipeline – NBCR, USA WISDOM project – CNRS, EU Glyco-M*Grid – Kookmin & Konkuk U, Korea

3 Follow-up activities Continued development of application specific services – AutoDock, NAMD as Opal services Continued development of workflows – NBCR Summer Institute training of CADD pipeline Glyco-M*Grid – Suntae Hwang Release of Opal 2.1 with condor and CSF4 4.0.5.1 plugins Ability to use Condor web service interface for virtual screening using TeraGrid

4 New Since PRAGMA 16 Real-time bioMEdical data Streaming and visualization (RIMES) – CNIC, China PRIME Students – USM, NTU, CNIC – Osaka U., Monash U. – New in 2010: JLU, host of PRAGMA 19 MURPA Students – Cheminformatics and Nimrod/K based workflows Calit2 Summer Internship – Kevin Wu

5 Real-time bioMEdical data Streaming and visualization (RIMES) Kevin Dong, CNIC

6 Next Milestone Production use of Gfarm for sharing simulation data – Production use by PRAGMA 18 Virtual machine scheduling using CSF4 – Demonstration by PRAGMA 19

7 Scientific Results Newhouse et al, JACS 2009

8 PRIME/Calit2 Summer Project

9 New Challenges Virtualization – What does it mean to us? Production environment – Where is it? What form should it take? The Connection between Productivity and Grid/Cloud – Most work is still done on local clusters, the desire to use the grid/Cloud is there, but the infrastructure is still evolving Sociology of software engineering – Can we collaborate using Facebook?

10 GAP -- The architecture overview Service Oriented Architecture Multi-user Environment Common Interface to Heterogeneous Environment Portable & light- weight Client H-Y. Chen, ASGC

11 http://demo.mgrid.or.kr Parallel Processing Lab. http://service.mgrid.or.kr S Huang, KU

12 Concluding Remark Please visit the demo site http://demo.mgrid.or.kr and use the site http://service.mgrid.or.kr Parallel Processing Lab.

13 Themes Technology trend and user service Shared development Diversity and outreach, other biological problems and associated challenges – CDI library for virtual screening – Public ones free for use – GVS – based upon Glite

14 4) Training and education opportunities – ISGC annual meeting, one day or two day workshop – Diana, Ganga – Sharing of experience Make user participate default VO with resources – Users may want to use different programs, rescoring, associated support

15 Application Deployment Jopera – Different workflows. Conversion is difficult between workflow programs GEMLCA – Globus related development M*Grid – Looking for users – Setting up PRAGMA instance – How to use Gfarm

16 Application Sharing and Testing RIMES – Kookmin will test RIMES Authentication mechanism – How can we use the Tsukuba-GAMA authentication?

17 Lessons on the Grid CNGrid – Education network ChinaGrid – BioinformationGrid – Qinghua University


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