VLAB Framework (afternoon) Gordon Erlebacher

Principal IT Investigators University of Minnesota –Prof. David A. Yuen : Dept. of Geology and Geophysics Martin D. Lyness –Prof. Renata Wentzocvitch : Dept. of Chemical Engineering and Materials Science Dr. Cesar da Silva Pedro da Silveira Florida State University –Prof. Gordon Erlebacher : School of Computational Science Evan F. Bollig Indiana University –Dr. Marlon Pierce : IU Community Grids Lab

Student Internships Ana Sallstrom (UMN): Workflow Visualization Javier Roman (UMN): Making Vlab Secure Frank Lyness (UMN): Remote Visualization, Ajax Mike Nielson (UMN): Managing Vlab resources using J2EE Dan Rao (UMN): Potential Repository Laurie Labadie (FSU): Interactive Data Mining of Workflows Celine Gestas (FSU): Lineplot Visualization

WATT: An Overview On the Web: wiki/index.php?title=WATT The Web Automation and Translation Toolkit (WATT) Automates the conversion of software, specifically for the internet. Translates source code to incorporate new technologies. Translator was written in Ocaml language Currently supports direct compilation of VTK ( Tcl scripts into remote visualization web services. Watt-live –

WATT : Design Tcl scripts written for VTK are sent to our Watt Compiler WATT generates C++ calls for VTK and adds template calls to gSOAP ( gSOAP headers autogenerated by WATT are compiled by the soapcpp2 compiler to produce SOAP enabled C++ objects WATT output plus additional gSOAP output are compiled together to produce a single binary visualization web service

Watt: next steps Restructure Watt to avoid translation from Tcl to C++ (time consuming) Automatically generate graphical user interfaces: proc AddContours { numContours rangeMin rangeMax } { #WATT_GUI_SETVALUE "Generate Contours" "# of contours" "min" "max” ….

Portlet Interfaces :: Overview Using Gridsphere 2.1 portlet container and grid libraries ( –JSR 168 standard portlets VLab PWscf Portlets –Already submitted and completed jobs –Project input revisions –Status and advanced submission monitoring –Visualization Clients –Pseudo-Potential Repository

Project Manager Portlets The Project manager (left two portlets) is integrated into many portal tabs to show the user his/her current project status and an overview of all projects maintained by the portal. The input portlets (right) walk you through entering important calculation information about the project.

Advanced Monitoring Job monitor tracks progress of project submission Detailed view allows for advanced manipulations within each workflow step

Charge Density Visualizations Uses multiple technologies: Java Servlet, gSOAP Web Service, JSR 168 Portlet, AJAX, CSS2, & JSP Generates visualizations using WATT generated web services Interacts dynamically with the visualization service using Java Reflection libraries within a Servlet which is accessed via AJAX within the Gridsphere portlet interface.

Pseudo-Potential Repository Access to multiple databases Create/delete/edit atoms, pseudo potentials and exchange- correlation functionså

Workflow Visualization Applet

Getting it online ( simplifed workflow view ) What’s left? –Reading in projects from the job monitor –Rearranging the tree to make reading tasks easier –Working on it!

Thermodynamic Visualization Built as a WebStart application based on VisAd Takes output from Phonon code and allows user to plot the data in one or multiple output files

Future Perspectives Investigating Ruby on Rails framework as a viable development platform. –Highly abstracted for rapid development Enhanced Interface design using various CSS & AJAX techniques –JavaScript 3D for inline browser remote visualization trackball style manipulations Expanding Services: –Dynamic workflow generation –Improved Visualization Services

Next steps Seek some physicists with no knowledge of the portal system who would be willing to try it out and provide feedback We’d like to sollicit feedback for a fixed time period before prioritizing issues and addressing them

VLab Activities On the web: Workshops & Seminars –Second VLab Workshop - will take place at the University of Minnesota Walter Library Room 402, August 5-10, Tutorials –No currently scheduled events. Summer Research Internship (Univ. of Minnesota) –Undergraduate students, each from unique educational disciplines actively participate in research and development of novel technologies for VLab. Nuggets: Short Research Bulletins –Straight to the point updates as we accomplish new goals –

The WATT Compiler Uses type-inference to convert typeless Tcl to strictly-typed C++ Compiler is language independent; configuration modules define input and output syntax. Register and Interrupt systems allow the compiler to reconfigure itself as it runs. –Parser for input configuration files registers new types or translations that are immediately available for use. –Interrupts are invoked by registered inputs and result in unique output (i.e. Tcl “set a 1” --> C++ “int a = 1;”)