Jan K. Labanowski: Computational Portals for Chemistry  

Gridlets and XMLets {:-)}

In this project, we were trying to create an XML file which would describe what needs to be asked from the user, what needs to be done with this information, the needed scripts and commands to run the job, and then, what should be presented to the user after job finished. At the same time we want to keep things simple. Our friends wanted us to provide a Web interface to run examples of their materials code. They wanted to change examples periodically and change the way the calculations are run, but without touching the Web stuff. While they knew everything they needed to know about executing their software, and shell scripts to do it, they were slightly shy on the Web technologies side. So they needed something which can be configured via XML file and few script templates rather than writing their own JSP pages, servlets, and resolving security issues.

I found a new word gridlet in papers by Rajkumar Buyya and Manzur Murshed from Monash University: http://www.csse.monash.edu.au/~rajkumar/. By gridlet they understand the tiny GridApp that contains all information related to jobs and job execution management details such as jobs processing requirements.

We actually had something similar in mind when we undertook a project in collaboration with Prof. John Wilkins from the Ohio State University http://www.physics.ohio-state.edu/~wilkins/ to provide test runs for the public at large. This prototype is far from a gridlet, but has, IMHO some interesting features. So I will call it XMLet {:-)}.

Small portal was created. The portal collect registration, sends e-mail with password back to the user. User then logs in and actually runs some real test cases with OHHMS package. User can modify input decks, but cannot modify the batch script. Now... Since we did not want to plagiarize a word gridlet, we called our approach: ohhmlet.

Time for slide show!!!