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Gateway Science Portal
Collaborative Technologies TutorialARL MSRC
Marlon Pierce and Choonhan YounSchool of Computational Science and Information TechnologyFlorida State University
January 18, 2001
Overview
Review of Activities WebFlow module development Security infrastructure development
Current Work Generic portal for job submission and
management Scientific visualization CSM Portal
Generic Portal Demo
Module Development
ContextManager A more developer-friendly API for
manipulating WebFlow contexts. Developed to support Gateway’s
problem-session-application hierarchy.Charon
Security module for accessing web content with Keberos security.
Security Infrastructure
WebFlow parent and child servers use Kerberos authentication.
Charon provides secure browser access.We’ve implemented secure delegation and
access control between WebFlow parent and child servers.
Child servers run with user’s ID. Unix file permissions protect files. Jobs submitted as user, so no allocation problems.
Security model reviewed with ASC MSRC.
Gateway Architecture
Browser
ORB
HPC Resources,
Mass Storage,
DBs
HTTP
SECIOP
WebFlowServers
ApacheTomcat
PSEORB
ORB
SECIOP
krsh, krcp
Charon
ORB
Installation and Testing
Early release of OSC PSE installed and tested at ASC. Robustness tested with multiple
(simultaneous) users. JSP-based Generic Portal Services
have been installed and tested at ASC.WebFlow middle tier software installed
at ARL.
Generic Portal Development Goals
We concentrate on core services any portal would need.
Code or CTA-specific portals can be built on top of these vanilla services.
Core services: Secure log on. Batch script generation Job submission. Job monitoring. Multiple file transfer.
Assumption: users know their codes but not always different queuing systems and other available resources.
Application Description
XML description of computational resources. Gather all information needed to run codes. We have developed a flexible description for
many applications. We use an XML dialect called XSIL for this.
XSIL (http://www.cacr.edu/XSIL) XML description of scientific data. Simple DTD and powerful Java-XML interface. Can extend it for sophisticated support for
specific codes.
Generic Services
Batch script generation: Infrastructure for multiple queuing systems
developed. We have implemented this for PBS, DQS. Can be easily extended to other queuing
systems.Job submission on remote HPC from desktop.Multiple file uploading/downloading.Job monitor GUI and infrastructure for
checking job status on multiple hosts. PBS currently implemented.
CSM Portal
CTA specific portals can be built on top of generic services.
Christina Beldica (NCSA) and Marlon Pierce (FSU) will develop CSM specific portal.
Initial capability will be support for parameter studies with preexisting input files.
Advanced capability will provide access to pre- and post-processing software.
Will be installed at ARL and ASC.
Scientific Visualization
Long range goal: use WebFlow middle tier software to provide remote visualization.
Current projects are stand-alone: Java3D-based Molecular Viewer for CCM. Java2D and SVG-based viewer and
whiteboard.
Molecular Viewer
Picture shows methylene, silyl anion, and formamide optimized geometries (calculated by GAMESS).
Code allows multiple molecules to be rotated, translated, etc., with outputs saved.
Displays animations of normal modes.Images can be saved as jpegs.
Control Panel
3DGeometry3
3DGeometry2
3DGeometry1
SVG Images
We are using Java2D and Batik from the Apache XML project to generate and display SVG images.
Image is SVG generated by custom data filter and Sun’s Java2D-to-SVG translator (SVGGraphics2D), and displayed with Batik’s viewer.
Data on ploymer concentration provided by Soumya Patnaik, Air Force Research Lab.
SVG Examples
Contact Information
Marlon Pierce: Email: [email protected] Phone: (937) 904-5140
Gateway Web Site:www.gatewayportal.org
Portal Screen Shots
Collab. Tech. TutorialARLJanuary 18, 2001
Portal Tool Bar
Runs locally on client’s desktop. Various components written as applets, so
we can switch easily to a completely downloadable version. Toolbar would be in a frame in browser window.
Also shown: file browser and job monitor applets. File browser allows you to view local (right hand side) and remote (left hand side) files.
Main Portal Page
Main frame identifies three tracks. “Code Selection” for starting a new
problem. “Problem Archive” for reviewing, editing
old problems. “Portal Administration” for administrators
to add/modify/delete information on applications and host machines (edits our application description xml file).
Code Selection Page
Displays available applications and platforms.
Display is dynamically generated from the Application Description XML data record.
Job Script Input
JSP is used to create forms based on information about codes (where is executable? How does code handle I/O?) in Application Description xml file.
Input from this page is used to create a job script for the selected platform’s queuing system.
Not shown: user can review and edit generated script.
Problem Archive
User can go back to old problems and edit them. Submit to new host. Change script parameters such as number
of nodes and so on.All problem sessions are archived, so
editing a problem creates two sessions (the old one and the new, modified one).
Administrator Interface
Portal administrators can add applications and host machines.
“Wizard” can verify that the admin provided the correct information (did not mistype path to executable, for example).
Example: Adding a host
This page shows the forms the admin would fill out to add a new host machine for a particular application (like Gaussian) to the portal.
Note this isn’t for installing applications themselves. It just makes them available to portal users by updating the XML data record.