1. European and Chinese Cooperation on Grid Virtual Laboratory: Exploring e-Science in CAS CNIC,CAS Jianjun Yu yujj@cnic.cn

2. Second EchoGrid Workshop Beijing – 29 & 30 October 2007 2 Outline Motivation e-Science and Virtual Laboratory Current Work on VLAB Planning in Future

3. The Definition of e-Science Three kinds of e-Science: Computationally intensive science in highly distributed network environments Science that uses immense data sets that require grid computing Distributed collaboration, such as the Access Grid Examples: social simulations, particle physics, earth sciences, bio-informatics, … Cited from wikipedia Second EchoGrid Workshop Beijing – 29 & 30 October 2007 3

4. Why e-Science Challenges in modern science research (from the view of scientific researchers ) Science problems are more complex than ever Science research object is not isolated, but cross discipline and large-scale Science data processing, simulation and computing become indispensable methods need more and more communication, collaboration, coordination among them closer than ever Second EchoGrid Workshop Beijing – 29 & 30 October 2007 4

5. Why e-Science From the perspective of resources Great total amount while with limited utilization Lack of effective usage Urgently requiring for more capabilities People need to collaborate sharing their resources and knowledge Second EchoGrid Workshop Beijing – 29 & 30 October 2007 5

6. Why e-Science From the perspective of IT: What researchers need Huge demand for computing technologies Huge demand for sharing the resource / collaboration What provides High speed network HPC Large scale of scientific data How to provide e-Science environment Give scientists a more EASY-TO-USE interface to help them using the infrastructure middleware application HPCSDBHSN Second EchoGrid Workshop Beijing – 29 & 30 October 2007 6

7. What e-Science do Provide a research collaborative environment Combining all resources: including computing, network, data, human,…. Observation &Experiment Computation & Simulation Theory Analysis Communication & Collaboration Networks Specimen Library Database Documentation Storage Facility Computing Facility Supercomputer Center Videoconference & On-line Forum Experiments & Field Stations Software Tools Second EchoGrid Workshop Beijing – 29 & 30 October 2007 7 Cited from CAS 11th Five-year Informatization Program (2006- 2010)

8. Outline Motivation e-Science and Virtual Laboratory Current Work on VLAB Planning in Future Second EchoGrid Workshop Beijing – 29 & 30 October 2007 8

9. CAS 11th Five-year Informatization Program (2006- 2010) Continue to develop the infrastructure and existing applications e-Science Facility Networks of field stations/instruments(60), Mobile equip., Digital library of natural resources e-Science Applications HEP, Astro, Bio, Geo, Chemistry, …(about 10 or 16) Resource Integration Platform Supporting Environment for Applications Second EchoGrid Workshop Beijing – 29 & 30 October 2007 9

10. Our vision of e-Science Virtual Laboratory based e-Science An integrated collaboration environment to support e-Science Composed of shared and collaborative hardware, software, data, information, human, …. An EASY-TO-USE interface for scientific researchers A basic form and tool for e-Science activities Second EchoGrid Workshop Beijing – 29 & 30 October 2007 10

11. e-Science VS. e-Science Virtual Labs e-Science would be applications- driven “Virtual Labs”, the key position in our e-Science framework,the core component to make e- Science a reality Should emphasize that Virtual Labs don’t mean make experiments or simulations online Second EchoGrid Workshop Beijing – 29 & 30 October 2007 11 Cited from CAS 11th Five-year Informatization Program (2006- 2010)

12. Virtual Labs Solves Currently: Infrastructure may be (almost) ready, but e-Science is not yet. many existing resources in place, but just a few could be brought into public. bottleneck may be the gap between products by computer experts and end users of domain scientists much more effort than expected to bridge this gap Virtual Lab is proposed to be a basic unit of research activity in the e-Science environment a connector between Infrastructure/resources and domain scientists the right user interface between scientists and their e-Science environment Second EchoGrid Workshop Beijing – 29 & 30 October 2007 12

13. Virtual Labs Goals With Virtual Labs, all kinds of resources could be integrated into a single access point customized and flexible services would be provided according to the specific requirements of different domains in an easier way than ever before Multidisciplinary, multi-organization collaboration could be carried out online. Second EchoGrid Workshop Beijing – 29 & 30 October 2007 13

14. Features of Virtual Labs Ease of use much easier to use than current systems Resource integration provide the user with a single operating environment many kinds of resources, such as supercomputers, mass storage facilities, scientific databases, digital libraries, high bandwidth network, scientific equipment, etc. could be accessed in a seamless way. Customized service provide a user with what he or she wants completely and exactly. Each user may have a specific workbench individually.. Ubiquitous research benefit from state-of-the-art technologies on mobile computing and related so that user could use the Virtual Lab at any time and anywhere. Second EchoGrid Workshop Beijing – 29 & 30 October 2007 14

15. Features of Virtual Labs (cont’) Collaborative work enable a lot of scientists, who are from multiple independent institutions, from multiple sites across the world, and from different professional backgrounds, to work together on a collaborative project or a common problem. Scalability support hundreds of users from tens of institutions, but should work just as well for three or five users. Management interact with outer management systems, such as ARP in CAS, to help improve efficiency during the whole lifetime of a research project or other research activities. Second EchoGrid Workshop Beijing – 29 & 30 October 2007 15

16. Virtual Labs Goals in 2006- 2010 Provide a virtual lab environment Scientific Virtual Organization management Scientists can access, organize and manage resource easily and transparently Integrate resources from CAS, such as computing, storage, database, library Document share and collaboration Organize Internet-based activities, such as project review, conference At least three e-Science applications on Virtual Labs Biology Astronomy High Energy Physics... 16 Second EchoGrid Workshop Beijing – 29 & 30 October 2007

17. VLAB Projects Exploration of e-Science Virtual Lab with our vision A product under Virtual Lab concept We focus more on how to develop an e-Science environment for real scientific application e-Science Virtual Labs VLAB Second EchoGrid Workshop Beijing – 29 & 30 October 2007 17

18. Architecture of VLAB VO management Document Collaboration Activity Collaboration Core toolkit CA Computing Resource Plugin Computing Resource Plugin Resources & services Scientific Workflow Database Plugin AV Plugin Didital Library Plugin Other Plugins Device Plugin Virtual Workbench Second EchoGrid Workshop Beijing – 29 & 30 October 2007 18

19. New technologies Advancing VLAB SOA Grid computing Web Services Scientific workflow Portal (WSRP) … Second EchoGrid Workshop Beijing – 29 & 30 October 2007 19

20. Research/standards go ahead Put forward theory, technology framework for VLAB project Solve key technologies Provide the guide of VLAB project Publish Universal standards to integrate different kinds of resources Second EchoGrid Workshop Beijing – 29 & 30 October 2007 20

21. The core components of VLAB Virtual Workbench Core Toolkits e-Science Security Infrastructure Virtual Labs services Second EchoGrid Workshop Beijing – 29 & 30 October 2007 21

22. Virtual Workbench A universal portal for e-Science activities Open, scalable, flexible integrated platform for different resources Support flexible requirements from scientists Support component reuse Assure usable and accessible Second EchoGrid Workshop Beijing – 29 & 30 October 2007 22

23. Virtual Workbench (cont’) Application centered portlet can be plugged into workbench Now support : Resource addin Calendar management Instance message Document Share Virtual Community Mail subscribe application can be capsulated as portlet and added into the virtual workbench Second EchoGrid Workshop Beijing – 29 & 30 October 2007 23

24. Core Toolkits Virtual organization management tool Document collaboration tool Activity organization tool Second EchoGrid Workshop Beijing – 29 & 30 October 2007 24

25. e-Science Security Infrastructure Construct a PKI based security infrastructure CAS e-Science CA Be authorized by APGrid PMA, 2006 Be trusted by IGTF Based on OpenCA package Second EchoGrid Workshop Beijing – 29 & 30 October 2007 25

26. Virtual Labs Services Work and develop with the front-line scientists Applied to real scientific application Biology Astronomy High energy physics …. Second EchoGrid Workshop Beijing – 29 & 30 October 2007 26

27. Current Work on VLAB SDG(Scientific Data Grid) Data processing centered e-Science Virtual Lab Core Toolkit Document Share Tool VO Management Tool Activity Management Tool AVLAB (Astronomical Virtual Lab) e-Science application Second EchoGrid Workshop Beijing – 29 & 30 October 2007 27

28. Scientific Data Grid Introduction of Scientific Database SDB is a long-term project since 1983, in which there are multi-disciplinary scientific data accumulated through the course of science activities in CAS. many institutes involved long-term, large-scale collaboration data from research, for research Aimed at: connecting massive data resources in Scientific Database realizing effective sharing of those geographically distributed, heterogeneous and autonomous data resources via grid computing technology, especially data grid technology Second EchoGrid Workshop Beijing – 29 & 30 October 2007 28

29. SDB status 45 institutes across 16 cities 503 databases 16.6TB total volume

30. What SDG provides DAS Data Access Service IMS Grid Information Service Security Infrastructure Storage Service SDG Portal SDG Toolkit Second EchoGrid Workshop Beijing – 29 & 30 October 2007 30

31. Scientific Data Grid Scientific Database Scientific Data Grid Middleware Scientific Data Grid Applications Virtual Observatory GridHigh Energy Physics Grid Avian Flu Alert System Other Grids Second EchoGrid Workshop Beijing – 29 & 30 October 2007 31

32. DAS Goal: Access over forty scientific databases in CAS Integrate immense scientific data sets Provide universal interfaces for researchers Functions Metadata extraction Database schema mapping Block data set GT4 compatible Second EchoGrid Workshop Beijing – 29 & 30 October 2007 32

33. SDG Portal Second EchoGrid Workshop Beijing – 29 & 30 October 2007 33

34. Document Share Tool Feature Share files for VO teams User-labeled File tag for more exact classification Document Search engine Automatic summary generation ACL or RBAC based privilege control Duckling Wiki based document publishing, editing A web-based Document share portal CLB: Document Sharing tools File upload, lock, unlock, update REST API CLB-U: Document share client Windows shell application Office Add-in(support office xp/2003/2007) Second EchoGrid Workshop Beijing – 29 & 30 October 2007 34

35. Duckling -Wiki 35 Second EchoGrid Workshop Beijing – 29 & 30 October 2007

36. Duckling-file upload/update Second EchoGrid Workshop Beijing – 29 & 30 October 2007 36

37. Ducking-Search Second EchoGrid Workshop Beijing – 29 & 30 October 2007 37

38. Duckling-Tag Second EchoGrid Workshop Beijing – 29 & 30 October 2007 38

39. VO Management Tool UMT Hierarchical Directed Acyclic Graph based model Group can has subgroups, and subgroups can has multiple parent group Members of one group would inherit the roles and privileges from its parents ACL or RBAC based resource access control Second EchoGrid Workshop Beijing – 29 & 30 October 2007 39 VOGroup

40. UMT Second EchoGrid Workshop Beijing – 29 & 30 October 2007 40

41. Road Map To develop Virtual Lab version 1.0 Popularize the VLAB environment 2007.5 Vlab develop 2007.9 Virtual workbench &Core toolkit 2007.12 Vlab 1.0 2006.12 Vlab framwork design 2006.12 Vlab proposal Vlab applications Protein Astronomy Second EchoGrid Workshop Beijing – 29 & 30 October 2007 41

42. Planning in Future Select typical science areas to deploy Virtual Lab Biology Astronomy High Energy Physics... step by step, case by case, project by project and worldwide cooperation to actualize the e-Science of CAS Need more international cooperations! Second EchoGrid Workshop Beijing – 29 & 30 October 2007 42

43. Summary e-Science or science researches through cyberinfrastructure will be one of the main goals of CNIC,CAS in the next five years e-Science need more international collaborations on cyberinfrastructure and e- Science applications Merging scientific domain and IT, not only in IT technology and scientific knowledge, but also in human, e.g. e-scientist Second EchoGrid Workshop Beijing – 29 & 30 October 2007 43

44. Thanks! Second EchoGrid Workshop Beijing – 29 & 30 October 2007 44