European and Chinese Cooperation on Grid Virtual Laboratory: Exploring e-Science in CAS CNIC,CAS Jianjun Yu

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

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

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

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

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

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 Cited from CAS 11th Five-year Informatization Program ( )

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

CAS 11th Five-year Informatization Program ( ) 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

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

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 Cited from CAS 11th Five-year Informatization Program ( )

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

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

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

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

Virtual Labs Goals in 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 Second EchoGrid Workshop Beijing – 29 & 30 October 2007

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

SDG Portal Second EchoGrid Workshop Beijing – 29 & 30 October

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

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

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

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

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

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 VOGroup

UMT Second EchoGrid Workshop Beijing – 29 & 30 October

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

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

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

Thanks! Second EchoGrid Workshop Beijing – 29 & 30 October