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

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

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 CSF plugins Ability to use Condor web service interface for virtual screening using TeraGrid

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

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

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

Scientific Results Newhouse et al, JACS 2009

PRIME/Calit2 Summer Project

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?

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

Parallel Processing Lab. S Huang, KU

Concluding Remark Please visit the demo site and use the site Parallel Processing Lab.

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

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

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

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

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