1. GRID INTEROPERABILITY USING GANGA Soonwook Hwang (KISTI) YoonKee Lee and EunSung Kim (Seoul National Uniersity) KISTI-CCIN2P3 FKPPL Workshop December 1, 2008

2. INTRODUCTION Multiple Grid Infrastructures available EGEE (gLite), PRAGAM, OSG, TeraGrid (Globus), DAISA(Unicore), etc. Users have to learn commands or tools for each grid infrastructure Not easy to use resources across multiple Grids Our Goal High-level Tools that enable the use of as many as resources possible from multiple grid infrastructures without having to know the details of each grid middleware Our Approach Chose to use the GANGA as a high-level tool for job execution management exploiting multiple Grid infrastructures Chose to use the WISDOM as a target application

3. GANGA easy-to-use user interface for job submission and management Implemented in Python: Interactive shell or Script files Use python syntax to submit a job provide a plug-in mechanism for multiple execution back ends (e.g., Grid, Batch and Local) and applications (e.g., ROOT, GAUDI and Athena) easily extended and customized to meet the needs of different user communities Currently, support only the LCG/gLite backend for Grid, not Globus backend ATLAS PBS or SGE LHCb GangaGanga LCG/gLite Backend PBS or SGE Backend Local Backend LCG/gLite Cmd or Lib PBS or SGE Cmd or Lib Local Cmd or Lib Athena GAUDI ROOT

4. New Plug-ins Development in GANGA Have developed new plug-ins to GANGA to support: AutoDock applications GridWay backend InterGrid backend BioMed PBS or SGE PRAGMA GangaGanga InterGrid Backend PBS or SGE Backend Local Backend PBS or SGE Cmd or Lib Local Cmd or Lib GridWay Backend GridWay Cmd or Lib LCG/gLite Backend LCG/gLite Cmd or Lib Athena GAUDI ROOT AutoDock FKPPL

5. AutoDock Application Customize configuration for running autodock applications on the grid LigandSplitter is provided for splitting ligand-protein docking jobs on the grid GridWay Backend Have access to Globus resources InterGrid Backend Have access to both LCG/gLite and Globus resources Intelligent resource selection Based on load on Grid New Plug-ins Development in GANGA (cont’d)

6. Implementation Issues Authentication Use VOMS proxy AutoDock Execution Autodock shell script developed in WISDOM Rely on globus-url-copy LCG: globus-url-copy – OK Gridway: globus-url-copy – Failed (No job delegation support) Our approach “Staging in” technique LCG: Inputsandbox – size limitation problem Gridway: Inputsandbox – No size limitation Ganga provide a solution for LCG size limitation. Upload large files to SE and download from SE to CE. Thus, we use inputsandbox with Ganga functionality.

7. EXAMPLE One AutoDock Job

8. EXAMPLE One AutoDock Job

9. EXAMPLE Multiple AutoDock Jobs ( for statement)

10. EXAMPLE Multiple AutoDock Jobs ( for statement)

11. EXAMPLE Multiple AutoDock Jobs ( for statement)

12. EXAMPLE Multiple AutoDock Jobs ( LigandSplitter )

13. EXAMPLE Multiple AutoDock Jobs ( LigandSplitter )

14. EXAMPLE Multiple AutoDock Jobs ( LigandSplitter )

15. EXPERIMENT Performance Evaluation gLite supports bulk (faster) submission Splitting jobs may be more efficient than submitting bunches of individual jobs 100 Jobs1000 Jobs FKPPL Submission Time 8m 50s79m 22s Success Percentage 100%98.90% Biomed Submission Time 237m 39sX Success Percentage 55%X