Simulation based Cyber-Learning System

and Its User Services

JongSuk Ruth Lee, PhD

Dept. of Computational Science and Engineering,

Division of Supercomputing and Networking,

Korea Institute of Science & Technology Information (KISTI)

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Contents

1 Status & Necessity of Cyber-Learning System

2 A Cyber-Learning System : EDISON

3 Future Plans of Cyber-Learning

1. Thousand years ago : Experimental Science

Description of natural phenomena

2. Last few hundred years : Theoretical Science

Newton’s Laws, Maxwell’s Equations…

3. Last few decades : Computational Science Simulation of complex phenomena

4. Last few years : e-Science or Data-Intensive Science

Scientists overwhelmed with data sets from many different

sources

Data captured by instruments

Data generated by simulations & sensor networks

e-Science is the set of tools and technologies to

support data federation and collaboration

For analysis and data mining

For data visualization and exploration

For scholarly communication and dissemination

With thanks to Jim Gray

Science must move

from data

to information

to knowledge

1.1 Changes of a Research Paradigm

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4

Contents

1 Status & Necessity of Cyber-Learning System

2 A Cyber-Learning System : EDISON

3 Future Plans of Cyber-Learning

Background and Overview

5

EDISON means EDucation-research-industry Integration through Simulation On the Net

Virtual Experiment

Constant Research

Wherever

Computing Power

Imagination

Creativity

x+y=

z

S/W

Algorithm Contents

Movie

Paper

Patent

EDISON (19c)

EDISON (21c)

School Home

Simulation

Super

Computing

High Performance

Network

Field Experiment

Constant Research

Wherever Imagination

Creativity

2.1 A Cyber-Learning System : Background

Anyone can learn and understand the theory or system by computer

simulation anywhere and can predict operations of the system by easily

changing parameters of the simulation model. 6

2.2 Overview of EDISON (1/3)

▣ Science Gateway for Research & Education of Computational Science

To establish a web-based open platform on cyber-infrastructure where people can

easily and conveniently access and utilize simulation SWs for the educational and

research purpose

To help (under)graduate students learn latest technologies and research trends

in the engineering/science area, and localize simulation SWs in the various

application areas

Timeframe: July 2011 ~ Ongoing

Budget: U$4.5M/year funded by MSIP(Ministry of Science, ICT and Future Planning)

Objectives

Construction of ‘virtuous circle’ between schools and fields

Localization of science/engineering simulation SWs

G

O

A

l

Development of EDISON open platform and portals for public service

Establishment of research communities and connections to higher education

Commercialization of well-featured domestic simulation SWs

Computer/ Network/ Storage

User Authentication/

Computing Resource Virtualization

Cyber-Infrastructure EDISON Middleware

Science AppStore/

Web-Portal

EDISON Application Framework

CFD Computational Chemistry NanoPhysics Structural Dynamics Computational Design

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Core components of EDISON open platform 2.0 for CSE

Establish web portal framework & web portal integrated environment of EDISON to support multidisciplinary

computational science and engineering

Development of core technologies for open platform such as Science AppEngine, optimization of workflow

runtime engine & flexible provisioning of computing resources

2.2 Overview of EDISON (2/3)

Portal Service in 2013 Portal Service in 2012

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Portal Service in 2011

Pilot Service of CFD

Formal Service of CFD

EDISON Platform v1.0

EDISON Platform v1.0 α

Portal Service in 2014

EDISON Platform v2.0 Technology

Development

EDISON Platform v1.0 β

Apply

Apply

β

Development of platform in 2013 -2014

Development of platform in 2012 - 2013

Development of platform in 2011 -2012

Development of platform in 2014 - 2015

Formal Service of CFD

Formal Service of CFD

Pilot Service of NANO

Pilot Service of CHEM

Formal Service of NANO

Formal Service of CHEM

Formal Service of NANO

Formal Service of CHEM

Pilot Service of CSD

Pilot Service of Design

History of EDISON Platform & Portals

2.2 Overview of EDISON (3/3)

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Service in 5 fields in Oct. 2015

Infrastructure

HPC Computing

Cluster GPU

Cluster

EDISON Middleware

Icebreaker Spyglass

Simulation/Job Manager

Physical Resource Manager

Virtualized Resource Manager

Solver/Tools Matadata

Pre/Post Processor Data

Schema Management

Application Framework

EDISON Middleware

Application Framework

Workflow System Science Appstore

Authentication Service

Statistic Service

EDISON Platform v2.0β

Computational Fluid Dynamics NanoPhysics

Computational Chemistry

Computational Structural Dynamics

Computer Aided Optimal Design

2.3 Integrated EDISON Portal

www.edison.re.kr

2.4 Excellence of Integrated EDISON Portal (1/4)

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EDISON 2.0 Beta

Multidisciplinary Integrated System

EDISON 1.0

English NANO

Korean NANO

English CHEM

Korean CHEM

English CFD

Korean CFD

CSD

DESIGN

Main portal

Integrated log-in with ONE user ID

• Search, access & use various Apps of 5 areas of EDISON with one user ID

Integration of five ScienceApp databases for each domain field

Search Apps & execute simulation jobs in 5 current computational science

engineering areas through the EDISON main portal

Possible to Multidisciplinary convergence study of CSE

Inquiry of ScienceApp

Simulation Monitoring

Integrated log-in/ Capable of integrated

searching & using Various Apps

12 12

EDISON 2.0 Beta

Register ScienceApp

EDISON 1.0

Capable of inputting all data input in Korean & English

• Capable multilingual support including Chinese & Japanese (about 47 languages)

Preparation the foundation for globalization on EDISON Platform and

computational science & engineering ScienceApp

Multilingual support for Global users

Virtual lab

Contents Questionnaire

2.4 Excellence of Integrated EDISON Portal (2/4)

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EDISON 2.0 Beta

Register input port sample file

EDISON 1.0

Apply user requirement : Total 357 (314 cases solved & improved, 10 cases under progress, 33 cases

under process by application center)

Provide various sample files for easy execution of ScienceApp

• Beginner can execute ScienceApp with one click

Provide the user guidance for EDISON portal & enhance personalization

• Provide one-click tutorial and detailed manual

• Capable of easy grasping of using log and enhancing management function by providing My EDISON

Provide user-friendly manuals & various execution samples

Register input deck sample file Input port

Input deck

Simulation

My EDISON Use input port sample file

2.4 Excellence of Integrated EDISON Portal (3/4)

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Enhancement of integrated web portal framework for various CSE fields

Improve web portal framework by applying user requirements

• Provide the intuitive & easy user interface on simulation workflow & virtual lab that are difficult to use

• Improve the performance of visualizing tool of web(improve the speed such as data loading and convergence

graph drawing) and develop HTMLViewer & TEXTViewer

Strengthen the functions of management of portal, site & web contents

• Achieve efficiency of management by minimize operation servers from 17 to 3

• Realize duplication of servers to increase stability

Improve & enhance integrated web portal framework

Improve workflow to execute intuitive simulation

Improve interface of virtual lab Tool of web visualization

HTMLViewer

TEXTViewer

Implicated meaning, difficult to use Provide tab navigation for each step, easy to use

Simple Q&A→Multilingual questionnaire, enhance function of tutoring

Management efficiency

ACTIVE

STANDBY

Operating server 17 -> 3

Enhance function of web contents

Create dynamic web contents

2.4 Excellence of Integrated EDISON Portal (4/4)

Application Areas

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Develop & use of basic/applied/advanced simulation SWs and contents

Compressible/

incompressible

flow

Incompressible

Laminar flow

Compressible

laminar/

turbulent flow

Design

optimization

Potential flow

Heat/turbulent/

Stokes flow

Duct flow

Multiphase flow

Simulation SWs and contents

based on potential/panel methods

Compressible flow simulation SWs and contents based on various

turbulence models

SWs and contents for low Reynolds/

Stokes flow and heat transfer Core/General CFD simulation SWs

Potential Flow

Compressible/

Incompressible Flow

Compressible

Laminar/turbulent Flow

Heat/turbulent/

Stokes Flow

SWs and contents for

incompressible internal laminar flow

SWs and contents for incompressible

external laminar flow

Design optimization SWs and

contents

Simulation SWs and contents for

two-phase flow

Duct Flow

Multiphase Flow Incompressible Laminar Flow Design Optimization

2.5 Application Areas : EDISON_CFD (1/2)

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Flow over a Circular Cylinder

• Karman vortex street

• Reynolds number = 140, AOA = 0.0

• Grid : 101 × 81 cells

[ Vorticity contour and streamline ]

Flow over a NACA0012 Airfoil

• Case1 : Mach number = 0.73, AOA = 2.0

• Case2 : Mach number = 0.73, AOA = 4.0

• Case3 : Mach number = 0.73, AOA = 6.0

viscous (a) viscous (b) viscous

(c)

[ Pressure contour ]

Flow over a Flat Plate

• Reynolds number = 1.08 × 105

x

y

0.34 0.36 0.38 0.4

0

0.02

0.04

0.06

[Velocity contour and vector ]

Cavitation Problem

• Reynolds number = 1.36 × 105

• Temperature = 300K

• Grid : 144 × 80 cells

[ mesh ]

Forward Facing Step

• Reynolds number = 4.4 × 103

• Grid : 4,800 cells

[Velocity contour and streamline]

Channel Flow

• Fully developed flow of channel

• Reynolds number = 1 × 103

• Grid : 150 × 80 cells

Result Examples from CFD Lectures

2.5 Application Areas : EDISON_CFD (2/2)

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2.6 Application Areas : EDISON_NanoPhysics (1/2)

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Continuum

1 nm 10 nm

Atomistic First Principles

100 nm

Semi-classical

DFT tight-binding k·p, effective mass BTE

STM, Kinetics, Electromagnetics, Quantum Mechanics …

Nano Foundations Nano Materials

Structure Generation & Modeling, Materials Design …

Nano Devices

Semi-classical/Quantum Transport, Semiconductor …

Development of Basic/Applied/Advanced Simulation SWs & Contents in the NanoPhysics Field

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2.6 Application Areas : EDISON_NanoPhysics (2/2)

2.7 Application Areas : EDISON_Chem (1/2)

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2.7 Application Areas : EDISON_Chem (2/2)

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Lennard-Jones particle of the

molecular dynamics SW

The structural design of a variety of

new molecules

Two-dimensional simulations

of colloidal

Molecular structure / energy /

orbital / spectrum calculation

Materials and biological

modeling of complex systems Biomolecular modeling

• HF / DFT-based quantum computation

• Structure / spectrum / MO visualization

• Spectrum calculated using TDDFT

• Grid-based Simulation of phase transitions

• Analysis of the structure and dynamics of polymer

• Analysis of the molecular structure of DNA in nanochannels

• Protein Structure Prediction

• Protein-ligand docking

• Biomolecular free energy calculations

Summary of User Services

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Global Recognition & Collaboration

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Areas Comm. SW

EDISON SW Economical Effect

CFD FLUENT 2D_Comp $10.8M

Nano COMSOL TranOpElec_Sover $6.0M

Chem AMBER MODY_Solver $1.2M

2.9 IDC Innovation Excellence Award

EDISON (EDucation-research Integration through Simulation On the Net)

“HPC Innovation Excellence Award” from IDC, the first time in Korea

Grounds for the Award

- By decreasing dependence on expensive commercial simulation software and

providing the free locally developed domain specific simulation software

through the development/establishment of EDISON platform & core technologies based on

HPC(High Performance Computing), our innovative competence has been recognized.

- Our contribution to the spread of HPC community in the area of computational science engineering

through the establishment of close partnership between the central center and application center

has been recognized. * Central Center: Developing EDISON core technologies and establishing platform for running simulations based on the HPC

** Special Center: Developing simulation SW in the areas of computational science engineering and applying it to education

Awards Ceremony: SC13(November 19, 2013 @Denver, US)

※ Statistics of IDC awards@SC13: Nine from the US, two from UK, one from Germany, one from

France, and one from Korea which is the only award from Asia.

While Facebook was awarded only in the area of innovation,

EDISON project was recognized in both aspects of Innovation and ROI.

Country No. of Awards Country No. of Awards

USA 38 UK 4

China 3 Italy 3

India 2 Sweden 1

Canada 1 Australia 1

France 1 Switzerland 1

Germany 1 Korea 1

Spain 1 Total 59

Past Award Statistics(11’~13’, Total: 6)

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Expanding Cyber-Learning/Distance Education Community in PRAGMA(Pacific Rim Applications and Grid Middleware Assembly)

2.10 Cyber-Learning/Distance Education WG

Establishment of PRAGMA Cyber-Learning/Distance Education WG

Proposing Cyber-learning/Distance Education WG at the 24th PRAGMA Workshop (2013.3.20~23, Bangkok, Thailand)

Chair(Lee, Ruth), and Co-chair(His-Ching Lin, NCHC/Putchong Uthayopas, KU)

Summary of Main Results

Promotion of CL/DE WG & Spreading CL/DE through EDISON to the PRAGMA community (Taiwan, Vietnam, Thailand and Hong Kong)

Establishment of English EDISON web portal & deployment of EDISON CFD@NCHC

Held a workshop on Cyber-Learning at PRAGMA 26 (2014.4.9~11, Taiwan)

“Korea-Taiwan International Joint Research Project ” (13.7.29-15.7.28, $100,000)

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Contents

1 Status & Necessity of Cyber-Learning System

2 A Cyber-Learning System : EDISON

3 Future Plans of Cyber-Learning

Education

Research

Industry

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3. Future Plans for Cyber-Learning (1/3)

Collaboration Project between KISTI & NCHC

Title : Korea-Taiwan International Joint Research Project Duration of Project : July 2013 ~ July 2015 ($100,000) Mutual cooperation plan between KISTI, Korea and NCHC, Taiwan Jointly promote and apply simulation SWs for the purpose of education

and research Identify research issues in the CFD and Nanophysics sectors and promote

joint research Share latest research results to save development cost Expand mutual system users to cultivate cyber-learning communities Share computing resources, information, experience and ideas for the

simulation-based cyber learning Facilitate researcher-to-researcher exchanges

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3. Future Plans for Cyber-Learning (2/3)

Initiating collaboration between KISTI, Korea & ICST, Vietnam

Background Peter and Ruth was invited to ICCSE2014@Ho Chi Minh City (Aug. 21-23, 2014)

Consulted with Dr. Thanh N. Truong, head of ICST(Institute of Computational Science and Technology), Vietnam, to pursue business cooperation between the two organizations to establish a cyber education and research environment in Vietnam just as the EDISON and perform talent cultivation ODA(Official Development Assistance) programs based on computational science-related business cooperation and UST(University of Science & Technology, Korea) program.

Goal To build a starting point to expand the EDISON project in ODA recipient states in South East Asia and beyond

Cooperation Outline Build a cyber research and educational environment via ODA projects (EDISON@Vietnam) and Vietnamese

EDISON communities

Share simulation programs and contents developed by the EDISON project to attract Vietnamese users

Provide training programs to Vietnamese researchers (UST masters/doctoral courses) through the UST program and support mutual visiting research and exchanges.

Pursue joint studies in computational science based on supercomputing and network to come up with quality performance.

Arrange workshops and fulfil as a center of super computing technology development and computation science research and cooperation between the two states.

Expected benefits Facilitate the ODA project based on EDISON findings and the strategic point of Viet Nam and expand EDISON

users further into South East Asia and other ODA recipient states

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3. Future Plans for Cyber-Learning (3/3)

Signing Ceremony of MoU between KISTI, Korea & ICST, Vietnam

Date & Place : April 7, 2015 & KISTI, Korea

Goal : To build a starting point to expand the Simulation based Cyber-Learning

system like EDISON in ODA recipient states in South East Asia and beyond

List of participants

KISTI : Dr. Sunhwa Hahn (President of KISTI), Dr. Pillwoo Lee (Director General of Supercomputing Division), etc

ICST : Dr. Ky-Phung Nguyen (Executive Director), Dr. Thanh N. Truong (Scientific Director), Dr. Thinh V. Nguyen (Scientific Advisor and Professor of Seoul National University), Dr. Tan M. Phan (Vice-Chair of Scientific Committee, Former Executive director)

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3. Future Plans for Cyber-Learning (3/3)

Thank You!

Contact Information :

Dr. Ruth Lee: jsruthlee@kisti.re.kr

Dr. Kumwon Cho: ckw@kisti.re.kr (PI)