1. Grid ASP Portals and the Grid PSE Builder Satoshi Itoh GTRC, AIST 3rd Oct. 2003 UK & Japan N+N Meeting Takeshi Nishikawa Naotaka Yamamoto Hiroshi Takemiya Motonori Hirano Yoshio Tanaka Satoshi Sekiguchi

2. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 2 Overview of Grid ASP Grid ASP provides users PSE( Grid services ) Portal system hides Grid environment from users User GridASP (Grid Service Provider) PSE components (Grid Services) Application service Storage service Computing service DB service : Portal Main service is a batch job

3. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 3 Activities @ GTRC, AIST Software toolkit for constructing portal Grid PSE Builder (GridLib) Grid application portals ISV software( Gaussian, Phoenics,... ) user programming application Experiment of Grid ASP (planning) Feasibility study with real business players

4. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 4 Overview of the Grid PSE Builder Framework for building an application portal on a grid environment Globus Toolkit 2.x (MDS, GRAM, GSI)

5. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 5 Single-sign-on/session manager SSL client server mutual authentication Session management at SSL/TSL layer X.509 certificate based client authentication Proxy certificate based on GSI using portal ID ( Single user account on grid environment )

6. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 6 PSE Component information Interface of application XML-based Web page description language Application name, location... Contents Arguments (input parameters,..) Options <application xmlns="http://www.aist.go.jp/vcc" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.aist.go.jp/vcc application_schema.xml"> cat 1 Concatenate file(s). /bin/cat %option% %files% Operation Option number nonblank output lines display $ at end of each line number all output lines never more than one single blank line display TAB characters as ^I use ^ and M- notation, except for LFD and TAB files

7. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 7

8. 8 Batch job / Data staging manager In/Out file management for jobs Upload and download input parameters and files between client and Portal Transfer files from portal server to specified resources using GridFTP Job execution management Submit/ cancel jobs using globus GRM Monitor status of jobs

9. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 9 Future work for Grid PSE Builder Individual accounting model Proxy certificate for individual user Users don’t need globus on their clients Workflow control User : describe workflow of their jobs Provider : combine several applications as a single service

10. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 10 Grid Application portals Phoenics Portal Computational Fluid Dynamics Weather forecast Portal Meteorology QC Grid/ Gaussian Portal Quantum Chemistry http://www.phoenics.co.jp/

11. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 11 Phoenics Portal PHOENICS is a commercial code for CFD. Easy access to CFD application on parallel supercomputer(SR8000)through TSUKUBA-WAN. user 10km TSUKUBA-WAN SR8000 Phoenics Portal AIST NTT-AS lab.

12. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 12 KU KISTI AIST Weather forecast Grid portal User programming application A numerical weather prediction program 3 Grid middlewares Globus toolkit, Ninf-G, Grid PSE Builder Globus Toolkit 2.x Ninf-G Weather forecast program Grid PSE Builder (GridLib) Grid PSE Builder (GridLib) http / https RPC Web browser PC Cluster disturbance Simulation... tens-hundreds Simulation Different random sequences Statistics disturbance Prof. Tanaka (Univ. of Tsukuba).

13. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 13 QC Grid/ Gaussian Portal Purpose : Virtual laboratory for Quantum Chemistry Target users : scientists and engineers in bio-chem, bio- phys, material design, drug design, etc. Special feature Prediction of required resources Avoidance of the same calculation

14. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 14 Components of Gaussian Portal I/O archives Meta-scheduler Input Analyzer Estimator Comparator Retriever Web-based user interface Results DB High-throughput nodes Large Memory nodes Knowledge DB Input flow output flow Meta-scheduler is a core component of the Gaussian Portal

15. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 15 Meta-scheduler Input Analyzer Evaluating the method for calculation, the number of atoms, kind and number of basis set functions. Estimator Estimating the amount of computing resources (CPU time, memory, disk space). Comparator comparing the computing time and the retrieval time, and judging whether to retrieve or to compute. Retriever Retrieving previous results.

16. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 16 Grid ASP Experiment Feasibility study on business models Real business players contribute the experiment by their own ways. Period : Oct. 2003 – March 2006 Network : Carrier,... Computer, Storage : H/W vender,... Middleware : SIer Management Applications : ISV vender,... Portal: Portal company Users: companies, laboratories, consumers

17. UK & Japan N+N Meeting @ The Montague Hotel, London 3rd Oct. 2003 17 ASP リソースプロバイダ Players in Grid ASP business Some of functions may be acted by one player. User companyASPResource provider Design data Result data User Portal License management User management Provider management. Computer resources Applications Server Storage Data management Gaussian Phoenics....