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Building Science Gateways

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Concept #1: Web Portal

—

Web container that

aggregates content

from multiple sources

into a single display.

o “Start Pages”

—

Typically consume

RSS/Atom news feeds.

—

More powerful

versions these days

support Flickr,

calendars, games, etc.

o Gadgets, widgets

—

Examples: iGoogle,

(4)

Gadget

(5)

Concept #2: Grid Computing

—

Grid computing software is designed to integrate

large supercomputing facilities.

— TeraGrid, Open Science Grid, EGEE, etc.

— This is done via network services

—

Key Service Components

— Authentication and authorization framework (MyProxy)

— Remote process access and control (GRAM, Condor)

— Remote file, I/O access (GridFTP, SRB, RFT)

—

Additional Services

— Information services, replica management, database federation, storage management, schedulers, etc.

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Science Portals and Gateways

—

Science Gateways adapt Web portal

technology to build user interfaces to the

Grid.

—

Science portals resemble standard portals, but

must also

o Support access to computing and storage resources.

o Allow users remote, Unix-like access to these resources.

o Provide access to science applications and data sets.

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Example Science Gateways

—

Many listed here:

o http://www.teragrid.org/programs/sci_gateways/

—

Co

ver many different scientific fields:

o Atmospheric science, geophysics, computational chemistry, bioinformatics, etc

—

See also GCE07 and earlier proceedings

o http:

//www.collab-ogce.org/gce07/index.php/Main_Page

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Portlets + Client Stubs DB Service JDBC DB Job Sub/Mon And File Services Operating and Queuing Systems WSDL Browser Interface WSD L WSDL WSD L WSD L WSDL Visualizatio n Service DB WSDL

Host 1 Host 2 Host 3

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Terminology

—

Portlet

: this is a standard Java component that

generates HTML and can also act as a client to

a remote service.

o Lives in a portal container.

o I will also use this term generically.

—

Web Service

: a remotely invokeable function

on the Internet.

o SOAP: the XML message envelop for carrying commands over HTTP.

o WSDL: describes the service’s API in XML.

o REST: A variation of this approach.

—

Lots more info:

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But Why?

— Three-tiered Service Oriented Architecture is the network equivalent of the the famous Model-View-Controller design pattern.

o View: the user interface components.

o Controller: Web service middleware

o Model: the backend resources.

— Independence of tiers gives flexibility

o Services can be reused with alternative user interfaces

§ Workflow composers like Taverna, Xbaya, Kepler

o User interfaces can work with different service implementations.

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Two Approaches to the Middle Tier

Grid Service Grid Service Backend Resource Web Service Portal Comp. Portal Comp. Grid Client Backend Resource

Fat Client Thin Client

Grid Protocol

(SOAP) Grid Client

HTTP + SOAP

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Disloc output converted to KML and

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GeoFEST Finite

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What’s In the Screenshots?

—

GeoFEST and Disloc Portlets

o Live on gf7.ucs.indiana.edu

o Manage the user’s display: Web forms, links to output, graphics.

o Save user session state persistently.

—

QuakeTables Fault DB Web Service

o Lives on gf2.ucs.indiana.edu

o Contains geometric fault models.

—

GeoFEST and Disloc Execution Web Services

o Lives on gf19.ucs.indiana.edu

o Generates input files from fault models.

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Best Practice for Scientific Web Services

— There

are many tools to choose from.

o .NET, Apache Axis, Sun WS, Ruby on Rails, etc.

—

Make them self-contained.

o If possible, generate input files within the service.

o Or have an input file generating service.

o Remember that they may be used by other people with other client tools.

—

Communicate data files with URLs.

—

Be very careful about exposing the state of the

service.

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Components for Portals

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Components for Science Portals

—

OGCE is founded on the principal that portals

should be built out of reusable parts.

—

Key standard in our first phase: the JSR 168 portlet

specification.

—

Portlets can run in multiple containers

o uPortal, Sakai, GridSphere, LifeRay, etc.

—

Allows us to build Grid specific components and

deploy along side other goodies: Sakai

collaboration tools, contributed portlets, etc.

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OGCE GPIR portlet can interoperate

with TeraGrid and your own GPIR

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Manage TeraGrid MyProxy

credentials with the OGCE

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OGCE file management client

portlets interact with TeraGrid

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Dashboard Portlet

23

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OGCE IFrame Portlet can be

used to integrate external

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Two Major Grid Client Efforts

— The Java COG Kit

o Supports several versions of Globus and SSH.

— Condor-G

o Has a Web Service interface (BirdBath) and Java client libraries.

o Supports Globus (v2 and v4) and several other Grid middleware systems.

— You can build either portlets or Web services with either of these.

— OGCE portlets use primarily COG

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CoG Abstraction Layer

CoG CoG CoG CoG CoG

CoG Data and Task Management Layer CoG Gridfaces Layer

CoG CoG

CoG

G

ridI

DE

GT2 GT3(X) WS-RFGT4 Condor Unicore

Applications

SSH Others

Nano

materials Informatics

Bio-Disaster Managemen

t Portals

CoG Abstraction Layer

CoG CoG CoG CoG CoG

CoG Data and Task Management Layer CoG Gridfaces Layer

CoG CoG CoG G ridI DE Development Support

(32)

Task Task Handler Service Task Specificatio n Security Context Service Contact

The class diagram is the

same for all grid tasks (running jobs, modifying files,

moving data).

(33)

Coupling CoG Tasks

—

The COG abstractions

also simplify creating

coupled tasks.

—

Tasks can be

assembled into task

graphs with

dependencies.

o “Do Task B after successful Task A”

(34)

Grid Client Development Problems

—

Grid portlets typically wrap each single Grid

capability in a separate portlet

—

Problem is that Grid portlets need to combine

these operations

o Portlets are entire web applications, so we need a component model for portlets: reusable portlet parts

—

Even with the COG Abstraction Layer, we must

still do a lot of coding to build new applications.

—

To address these problems we have adopted Java

Server Faces

o Provides several nice Model-View-Controller features

o JSF provides an extensible framework (tag libraries) for making reusable components.

o Apache JSF portlet bridge allows you to convert standalone JSF

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GTLAB JSF Example

<html> <body>

<f:form> ….

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Grid Tags Associated Grid Beans Features

<submit/> ComponentBuilderBean Creating components, job handlers, submitting jobs

<handler/> MonitorBean Handling monitoring page actions

<multitask/> MultitaskBean Constructing simple workflow

<dependency/> MultitaskBean Defining dependencies among sub jobs

<myproxy/> MyproxyBean Retrieving myproxy credential

<fileoperation/> FileOprationBean Providing Gridftp operations

<jobsubmission/> JobSubmitBean Providing GRAM job submissions

<filetransfer/> FileTransferBean Providing Gridftp file transfer

ResourceBean Describes common properties

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Scientific Workflows

—

Portal interfaces encode scientific use cases.

—

If you have a rich set of services, it is a lot of

work to make portlets for all possible use cases.

§

And power users will have always want

something more.

—

Example: our CICC project has dozens of

chemical informatics Web services.

— http://www.chembiogrid.org.wiki

—

Workf

low composers can simplify this.

(39)

Web Services and Workflows

— Perform a similarity search on the NIH DTP Human Tumor data.

— Filter the results based on Pharmacokinetic

properties (FILTER)

— Convert to 3D (OMEGA)

— Docking into a

pre-defined protein (FRED)

— Visualize (JMOL).

(40)

OGCE’s XBaya

(41)

Future of Science

Gateways

(42)

Social Gadgets+AJAX DB Service JDBC DB Job Sub/Mon And File Services Operating and Queuing Systems REST Browser Interface REST WSDL REST REST REST Visualizatio n Service DB REST

Host 1 Host 2 Host 3

Updating the Octopus

RSS,JSON/HTTP

HTTP(S)

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Enterprise Approach Web 2.0 Approach

JSR 168 Portlets Gadgets, Widgets Server-side integration and

processing AJAX, client-side integration andprocessing, JavaScript

SOAP RSS, Atom, JSON

WSDL REST (GET, PUT, DELETE, POST) Portlet Containers Open Social Containers (Orkut,

LinkedIn, Shindig); Facebook; StartPages

User Centric Gateways Social Networking Portals Workflow managers (Taverna,

Kepler, etc) Mash-ups

Grid computing: Globus, condor, etc Cloud computing: Amazon WS Suite, Xen Virtualization

Semantic Web: RDF, OWL,

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Microformats,

KML, and GeoRSS feeds used to

(46)

More Information

—

Contact me:

[email protected]

—

S

ee what I’m up to:

h

ttp://communitygrids.blogspot.com/

—

OG

CE software: ht

tp://collab-ogce.org/

—

Qua

keSim: htt

p://www.quakesim.org/

—

CICC

: http

://www.chembiogrid.org/wiki/

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