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nanoHUB.org: Cyberinfrastructure for Research and Education
1. nanoHUB.org: Cyberinfrastructure
for Research and Education
Michael McLennan
Software Architect
Network for Computational Nanotechnology
Purdue University
Cyberinfrastructure Summit: Innovation at Work
Banff, AB, October 11-12, 2007
7. Rappture Toolkit
Rappture
=
Simulation • Created by NCN in Nov 2004
Code
• Create standard desktop apps
• Works with your favorite
programming language
• Open Source
• Online at http://rappture.org
Scientist
8. Rappture works by defining
the interface
XML interface description
<?xml version=quot;1.0quot;?>
<run>
<tool>
<title>Name of the tool</title>
<about>Description and credits</about>
<command>
@tool/path/to/executable @driver
</command>
<limits>
<cputime>900</cputime>
<filesize>1000000</filesize>
</limits>
</tool>
<input>
...
</input>
<output>
...
</output>
</run>
integer: n curve: E-k diagram
CNTbands
integer: m curve: DOS
model
choice: sim method molecule: structure
…
…
9. Inputs, Outputs, and Metadata
Complete record of every simulation run
<?xml version=quot;1.0quot;?>
<run>
<tool>
<title>CNTbands v2.0</title>
<command>@tool/cnbandswr @driver</command> Exact software
<version>
revision from
<application>
<revision>16</revision> Subversion
<modified>2007-05-24 10:58:42 EDT</modified>
<installed>2007-05-24 10:59:51 EDT</installed> More details
</application> about software
</version>
</tool>
installation
<input> </input> All inputs
<output> </output> All results
</run>
10. Who’s using this?
2.5 million hits last month
26,196 users last 12 months
226,899 simulation jobs last 12 months
51 of the Top 50 Engineering Schools
11.75% of all .edu domains
18. Case in point
Rappture version Feb 06
366 Users TCAD simulations using SCHRED [15] or
Last 12 months ISE, …., were used to support our analysis
and compute the inversion carrier profiles in
the devices.
Effect of channel positioning on the 1⁄ f noise in
silicon-on-insulator metal-oxide-semiconductor
M von Haartman, M Oestling,
Journal of Applied Physics, 2007 - link.aip.org...
• Same behavior across all similar converted tools
• User’s don’t have to download/install software
19. A New Way of Publishing
Upload your own
• Presentations
• Tools
Support one another
• Questions & Answers
• Ratings and Feedback