Development of e-Science Applications in Taiwan

Hsin-Yen Chen Hurng-Chun Lee, Wei-Long Ueng and Simon C. Lin

ASGCAPAN 22

July 18-22, Singapore

Exponentail Growth World

Gorden Bell Prize “price performance”

Gordon Bell Prize outpaces Moore’s Law

The Data Deluge• A large novel: 1Mbyte; The Bible:5 Mbytes• A Mozart symphony (compressed): 10Mbytes• A digital mammogram: 100Mbytes• OED on CD: 500 Mbytes• Digital movie (compressed): 10 Gbytes• Annual production of refereed journal literature ( 20k journals; 2M a

rticles) : 1Tbytes• Library of Congress: 20 Tbytes• The Internet Archive ( 10 B pages; From 1996 to 2002): 100Tbyts• Annual production of information (print, film, optical & magnetic m

edia): 1500 to 3000 Pbytes• All Worldwide Telephone communication in 2002: 19.3 ExaBytes• Moore’s Law enables instruments and detectors to generate unpr

ecedented amount of data in all scientific disciplines

It’s about the Collaboration !

Any Opportunity for Small Countries?

Enabling Grids for E-ScienceE

OSG Participation

Taiwan’s Thinking

• International collaboration/participation with the global Grid Cyber- and e-Infrastructure is the key

• Our strategy is to use High Energy Physics to drive the Next Generation Grid Infrastructure. No national Grid organization has been established yet!

• We are setting up a new Academia Sinica Grid Computing Centre (ASGC) reorganised from ASCC

• ASGC will provide Grid-based infrastructure, service, e-Science application development, and promote Grid activities in Taiwan

• ASGC is fully supported by Academia Sinica and NSC in Taiwan

Taiwan signed the first WLCG MoU

• Jos Engelen (CERN CSO) and President YT Lee (Academia Sinica) Signed the WLCG MoU on 9 Dec. 2005 as a Tier-1 Centre for ATLAS and CMS

Plan for Taiwan Tier-1 Network

Backup PathBackup Pathto T0to T0

Primary Path to T0Primary Path to T0(plan to install 10GE in (plan to install 10GE in 2007)2007)

LCG and EGEE Grid Sites in theAsia-Pacific Region

4 LCG sites in Taiwan

12 LCG sites in Asia/Pacific

Academia Sinica Grid Computing Centre

Tier-1 Centre for the LHC Computing Grid (LCG)Asian Operations Centre for LCG and EGEECoordinator of the Asia/Pacific Federation in EGEE

AP Federation now shares the e-Infrastructure with WLCG

LCG siteother site

PAEC NCPIslamabad

IHEP Beijing

KNU Daegu

Univ. Melbourne

GOG Singapore

KEK TsukubaICEPP Tokyo

Taipei - ASGC, IPAS NTU, NCU

VECC Kolkata

Tata Inst.Mumbai

Contributions of ASGC in WLCG

• WLCG Tier1 Center – Collaborating ATLAS & CMS teams (NCU, NTU, IPAS) in Taiwan

• Regional Operation Centre and Core Infrastructure Centre• Production CA Services• LCG Technology Development

Data Management Grid Technology Certification & Testing Application Software ARDA (Distribute Analysis) 3D (Distributed Deployment of Database) Operation and Management

Dissemination and Outreach

Education and TrainingEvent Date Attendant Venue

China Grid LCG Training 16~18 May 2004 40 Beijing, China

ISGC 2004 Tutorial 26 July 2004 50 AS, Taiwan

Grid Workshop 16-18 Aug. 2004 50 Shang-Dong, China

NTHU 22~23 Dec. 2004

110 Shin-Chu, Taiwan

NCKU 9~10 Mar. 2005 80 Tainan, TaiwanISGC 2005 Tutorial 25 Apr. 2005 80 AS, Taiwan

Tung-Hai Univ. June 2005 100 Tai-Chung, Taiwan

EGEE Workshop Aug. 2005 80 20th APAN, Taiwan

EGEE Administrator Workshop

Mar. 2006 40 AS, Taiwan

EGEE Tutorial and ISGC 1~5 May, 2006 80 AS, Taiwan

gLite and the development of EGEE were introduced in all events which are run by ASGC

Issues of the Grid applications

• Due to the loose coupling nature, distributing application jobs on the Grid is not trivial• extra works are needed concerning the efficient job

handling and result gathering• need also efforts to handle transient network or site

problems• complexities should be hidden and the interface to

end user should be application oriented

• The significant Grid system overhead makes the Grid only benefit to the jobs with long computing time• not suitable for the pilot jobs for decision making

e-Science Applications in Taiwan

• High Energy Physics: WLCG• Bioinformatics: mpiBLAST-g2• Biomedicine: Distributing AutoDock tasks on the

Grid using DIANE• Digital Archive: Data Grid for Digital Archive Lon

g-term preservation• Atmospheric Science• Geoscience: GeoGrid for data management and

hazards mitigation• Seismology Science• Ecology Research and Monitoring: EcoGrid• SARS Grid: Access Grid Tech.• BioPortal• e-Science Application Framework Development

• Biomedical goal• accelerating the discovery of novel potent inhibitors thru

minimizing non-productive trial-and-error approaches• improving the efficiency of high throughput screening

• Grid goal• aspect of massive throughput: reproducing a grid-enabled in silico

process (exercised in DC I) with a shorter time of preparation• aspect of interactive feedback: evaluating an alternative light-

weight grid application framework (DIANE)• Grid Resources:

• AuverGrid, BioinfoGrid, EGEE-II, Embrace, & TWGrid

• Problem Size: around 300 K compounds from ZINC database and a chemical combinatorial library, need ~ 137 CPU years in 4 weeks

a world-wide infrastructure providing over than 5,000 CPUs

EGEE Biomed DC II – Large Scale Virtual Screening of Drug Design on the Grid

T06 (wild type)T06 energy distribution

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kcal/mol

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binding energy

docking energy

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T01 (E119A)

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code compound R group ΔG_T06 ΔG_T01

1f8b DAN -OH -11.40 -10.17

1f8c 4AM* -NH2 -12.92 -10.18

2qwe GNA (Zanamivir) -NC(NH2)2 -14.76 -12.70

* Oseltamivir is with a 4-amine, too.

GNA

Web Services-based Grid Infrastructure

• Model the world as a collection of services• Resource descriptions and aggregation• Discovery• Composition• Adaptation & Evolution• Quality of Services: security, performance,

reliability, scalability, …• Workflow (lifecycle management)• Open Source Implementation

GAPortal Framework Architechure

GAPortal Toolkits

Job RepositoryUser/Grid Proxy

Manager

GAPortal Interface Container

Data Management System

• Layered architecture to improve the usability of Grid Applications

• Two frameworks built on the top of current Grid middleware toProvide friendly graphic user interfaceHandle Grid application logic an efficient wayReduce the efforts of application gridification

GAPortal: Autodock service

SRB System Monitoring

Use LAS (Live Access Server) to access the dataset from the SRB System, and integrate with Google Earth

TEC DataGrid-based Digital Library

TEC Community LibraryTEC Community Library

DataGrid-based Digital Library• 9 Terabytes of on-line disk• More than 100 Terabytes of tape archive

Outputs

Seismogram Retrieval

Quick Focal Mechanism Determination

Inversion of Slip Distribution on Fault Plane

Waveform Simulation

1999 Chi-Chi Taiwan Earthquake

Data Requesting System

SeisGrid ArchitectureSeisGrid Architecture

Web-Based Portal User InterfaceWeb-Based Portal User Interface

SRB-based Digital LibrarySRB-based Digital Library

Job repositoryJob repository User/GridProxy Manager

User/GridProxy Manager

Virtual QueuingSystem

Virtual QueuingSystem

Grid AgentGrid Agent

Grid Computing ElementGrid Computing Element

C

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CWB

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IESASSensors

Industrial Program

• NSC-Quanta Collaboration• To help Quanta Blade System have best performance for HPC

and Grid Computing• Quanta is the largest Notebook manufacturer in the world• Participants: AS, NTU, NCTU, NTHU, NCHC• Scientific Research Disciplines: Material Science, Nano-Techn

ology, Computational Chemistry, Bioinformatics, Engineering, etc.

• Microsoft Collaboration• Enable MS CCS been the CE (gLite)

Conclusion

• Critical mass decides which Grid technology/system to prevail; Collaboration, Data and Complexity Reduction ar the main themes

• We are about to witness Data Deluge in all disciplines of e-Sciences

• Unprecedented way to collaborate on day-to-day basis will change the sociology of academia life, eco-system of business world and eventually every one in the society

• It is about a new paradigm of collaboration , data and computing will outgrow each of us. Together, we will achieve goals not possible individually!

Thank Your attention!