Development of e science applications in taiwan
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Development of e-Science Applications in Taiwan. Hsin-Yen Chen Hurng-Chun Lee, Wei-Long Ueng and Simon C. Lin ASGC APAN 22 July 1 8 - 22 , Singapore. Exponentail Growth World. Gorden Bell Prize “price performance”. Gordon Bell Prize outpaces Moore’s Law. The Data Deluge.

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Development of e-Science Applications in Taiwan

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Development of e science applications in taiwan

Development of e-Science Applications in Taiwan

Hsin-Yen Chen

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

ASGC

APAN 22

July 18-22, Singapore


Exponentail growth world

Exponentail Growth World


Gorden bell prize price performance

Gorden Bell Prize “price performance”


Gordon bell prize outpaces moore s law

Gordon Bell Prize outpaces Moore’s Law


The data deluge

The Data Deluge

  • A large novel: 1Mbyte; The Bible:5Mbytes

  • 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 articles) : 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 media): 1500 to 3000 Pbytes

  • All Worldwide Telephone communication in 2002: 19.3 ExaBytes

  • Moore’s Law enables instruments and detectors to generate unprecedented amount of data in all scientific disciplines


It s about the collaboration

It’s about the Collaboration !


Any opportunity for small countries

Any Opportunity for Small Countries?


Enabling grids for e sciencee

Enabling Grids for E-ScienceE


Osg participation

OSG Participation


Taiwan s thinking

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

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

Plan for Taiwan Tier-1 Network

Backup Path

to T0

Primary Path to T0

(plan to install 10GE in 2007)


Lcg and egee grid sites in the asia pacific region

LCG site

IHEP Beijing

other site

PAEC

NCP

Islamabad

KEK TsukubaICEPP Tokyo

KNU Daegu

VECC Kolkata

Taipei - ASGC, IPAS

NTU, NCU

Tata Inst.Mumbai

GOG Singapore

Univ. Melbourne

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 EGEE

    • Coordinator of the Asia/Pacific Federation in EGEE

AP Federation now shares the e-Infrastructure with WLCG


Contributions of asgc in wlcg

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 training

Education and Training

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


Issues of the grid applications

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

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 Long-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


Egee biomed dc ii large scale virtual screening of drug design on the grid

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

  • 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


Development of e science applications in taiwan

T06 (wild type)

34.92%

1f8b

13.06%

1f8c

compound numbers

binding energy

docking energy

2.43%

2qwe

Kcal/mol


Development of e science applications in taiwan

T01 (E119A)

55%

1f8b, 1f8c

compound numbers

11.58%

binding energy

2qwe

docking energy

Kcal/mol


Development of e science applications in taiwan

E119

A119

O

O

O

T06 (wild type)

T01 (E119A)

O

GNA

* Oseltamivir is with a 4-amine, too.


Web services based grid infrastructure

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 Framework Architechure

  • Layered architecture to improve the usability of Grid Applications

  • Two frameworks built on the top of current Grid middleware to

    Provide friendly graphic user interface

    Handle Grid application logic an efficient way

    Reduce the efforts of application gridification


Gaportal autodock service

GAPortal: Autodock service


Srb system monitoring

SRB System Monitoring


Development of e science applications in taiwan

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


Tec datagrid based digital library

TEC DataGrid-based Digital Library

Quick Focal Mechanism Determination

Outputs

Waveform Simulation

TEC Community Library

Seismogram Retrieval

Inversion of Slip Distribution on Fault Plane

1999 Chi-Chi Taiwan Earthquake

DataGrid-based Digital Library

  • 9 Terabytes of on-line disk

  • More than 100 Terabytes of tape archive


Data requesting system

Data Requesting System


Development of e science applications in taiwan

Web-Based Portal User Interface

Job repository

User/Grid

Proxy Manager

Virtual Queuing

System

SRB-based Digital Library

IESAS

Sensors

Grid Agent

CWB

Grid Computing Element

SeisGrid Architecture


Industrial program

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-Technology, Computational Chemistry, Bioinformatics, Engineering, etc.

  • Microsoft Collaboration

    • Enable MS CCS been the CE (gLite)


Conclusion

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

Thank Your attention!


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