Grid-Powered Scientific & Engineering Applications

Ho Quoc Thuan

INSTITUTE OF HIGH PERFORMANCE COMPUTINGINSTITUTE OF HIGH PERFORMANCE COMPUTING

Agenda

• Introduction• Grid@IHPC• Real-life Applications• Future Work

Introduction

• Grid computing:– Flexible, secure, coordinated resource sharing among

dynamic collections of individuals, institutions, and resource.

(From “The Anatomy of the Grid: Enabling Scalable Virtual Organizations”)

• Benefits: resource sharing• Issues:

– Connection– Dynamic environment– Heterogeneity– Security– Management

Grid@IHPC

• To Grid-enable scientific computing focusing on end-to-end solutions– Developing Grid computing middleware:

• Information service• Execution management• Data management• User interfaces …

– Grid-enabling applications:• Parallelize applications• Integrate applications with Grid middleware• Deploy applications• Supply resources and execute applications …

Grid@IHPC

GUI

Portal

Command

Components Integration Interface

Data Grid

Multimedia Grid

Access Grid

Infrastructure – IT Services

Compute Grid

Info. Grid

Information Service

Execution Management

Data Management

Multimedia Management

Deployment Service

APIs

Workflow

VO Information

Hub

Information Service

Allow users to discover & select resources that meet their needs.

– Capturing/publishing/supporting queries

– Large-scale information collection

– Able to publish any types of information:

• Hardware• Software• Workload...

– Hot plugable sensors

…

End users

…

SiteInformation

Service

Info Agents & Info Sensors

Site XResources

…

Grid VO

Info Agents & Info Sensors

Site YResources

SiteInformation

Service

Execution Management Framework

Execution Service

LRM

Execution Service

LRM

Metascheduler

Execution Service

Client Client Client

Grid VOInformation Hub

Site IS

Site IS

Sensor

Sensor Sensor Sensor

Sensor Sensor

dynamic discoveryand matching

reservation

LRM integration

• Distribute job across VO resources• Integrated with IS for dynamic resource

discovery & matching• Integrated with DS for file movement• Assist clients to reserve resources using

access token• Allow workload optimization plug-in• Job Execution Service component at

resource layer for queue management & multiple job submission

• Integration with LRM (SGE, Torque, LSF)

• GT4 and DRMAA compliant• Sequential, simultaneous and MPI jobs• Allow hybrid execution modes

Handle-driven

Forwarding

Hybrid

Data/Software Management• Automatic indexing, file change

notification• Supporting search and application

mapping (search-found-process)

Data Component

Data Manager

MetadataStore

Distributed Storage (1)

Client

ReplicaCatalog (RLI)

File Sensors

Monitored Directory

Replica Catalog (LRC)

Content Store

File To Application

Mapping

OGSA-DAI

OGSA-DAI

Files Files

XQueryUpdate Metadata Store

LFN of files with matching keywords

Con

tent

Inde

xing

Query by Keyword

Metadata Information (XML)

XQueryMetadata & Appln mapping info

Query with LFNList of PFN

Insert LFN

Distributed Storage (N)

...

Multi-modal GUI

XMLForm

AutomatiAutomaticc

FormFormGeneratoGenerato

rr

ManPage

Usereditable

User User CustomizatioCustomizatio

nsns

Command Line Application

Rendered inRuntime

DynamicDynamicFormForm

RendererRenderer

Grid Portal• Remote access to Grid resource

via browsers• Submit batch job• Monitor job status• Download data• Secure access

Workflow Editor

• Grid-based PSE for Engineering of Material• Target complex scientific workflows• Integrate with Grid middleware

Virtualization & Resource Management

• Apply virtualization technologies (Xen, VMWare)

• Package scientific tools in virtual machine images for different applications (template-based)

• Quick deployment• Easy backup/recovery/migrate• OSs as resources

Grid Middleware

SUN GRID ENGINE

MPI

VM1 VM2 VM3 VMn…

Hardware Resources

vm

vm

vm

vm

vm

Software/VMRepository Configurations

UserWorkspace

provisioning customization use and accounting

Xen/VMWare

discovery selection deployment adaptation

End-to-End Solution

Interfaces

Upload, download & search data

Submit, monitor jobs

View/download results

Middleware

Capture, monitor, publish

information

Extract information, transfer data

Schedule jobs

Resources

Capture information

Store data

Execute jobs

Construct & run applications

Real-life Applications

• Fire Dynamic Simulation (FDS)• Multiphysics (Femlab and Comsol)• Computational Electromagnetics (GECEM)• Motif Finder (GIS)• Digital Media Grid (Adaptive Enterprise@Singapore)

Grid-enabled Fire Dynamic Simulation

• Fire & smoke simulation• Compute intensive applications• Data intensive (output)

Portal

Execution Service

LRM

Execution Service

Sensor

Sensor Sensor Sensor

Metascheduler

high bandwidth and low latency

network

Grid-enabled Multiphysics• Grid-enabled commercial software

(Femlab, Comsol)• Resource discovery & execution• Different models of sharing:

1. Sharing license2. Sharing licence & computational power3. Sharing desktop

License ServerUser Computing

Servers

jobs

(2)

License ServerUser

license

(1)

licenses

License ServerUser Desktop

Servers

desktop

(3)

licenses

(2)

Computational ElectromagneticsGrid-enabled Computational Electromagnetics (GECEM)

• Grid infrastructure• Grid middleware• Portal• Remote visualization• Security

Other locations

Geometry dataUWS

IHPC

BAE SYSTEMS

Create geometry

Generate mesh

CEM simulation

MeshOutput Output

Output

Partners:• BAE SYSTEMS• HP UK• University of Swansea• Cardiff University

Grid-enabled Motif Finder

• Multi-modal GUI• Session management

Digital Media Grid Project(IHPC, IDA, HP, NTU, SMU)

Torque

SGE

Portal

IHPC Meta-schedulerJESSubmit job

SOAPJES

JES

LSF Meta-scheduler LSF GridSubmit jobweb browser

Maya

submitiMac

sshhttp

ssh

animatorWeb service

IHPC IS

Future Work

• Build a powerful platform to support science & engineering applications – A*STAR Digital Nervous System (ADNS)– Share resources for inter-research institutes

across A*STAR– Provide software as utility services

Status Updates2005

• Information Service:– Sensors– Data Collection Server– Grid/Web Service

• Execution Management:– Execution Service Container

can execute:• Sequential jobs• Concurrent jobs

– Metascheduler:• Resource selection

based on workload and speed.

• Grid/Web service• DRMAA standard

• Data Service:• Sending data over

Grid/Web service protocol

• Grid Portal• Applications:

– In house codes– Commercial software

2006• Information Service:

– Multi-domain– P2P– Hot-plugable sensors

• Execution Management:– Resource reservation for

parallel/interactive applications– Interface to Local Resource

Managements:• SGE, LSF, Torque

• Data Service:– Reliable data transfer– Transfer/Stream data in parallel

• Data management• Multi-modal GUI• Workflow editor• Virtualization technologies• Applications:

– 18 GB of data– More than 30 hours of

processing time– Windows applications

• Start design and implement ADNS

2007-2008

ADNS in action