1. 1 Spallation Neutron Source Data Analysis Jessica Travierso Research Alliance in Math and Science Program Austin Peay State University Mentor: Vickie E. Lynch Computational Sciences and Engineering Division August 8, 2007 Oak Ridge, Tennessee

2. O AK R IDGE N ATIONAL L ABORATORY U. S. D EPARTMENT OF E NERGY 2 Outline  Project purpose  Develop graphical user interface for fitting code  Run on TeraGrid  Graphical user interface (GUI)  Fitting code  NetBeans Functionality  Java  Need for GUI Data analysis for Spallation Neutron Source (SNS)  TeraGrid  Explain TeraGrid  TeraGrid facilities

3. O AK R IDGE N ATIONAL L ABORATORY U. S. D EPARTMENT OF E NERGY 3 Outline  Putting it all together  Link GUI to code  Add to SNS portal  Example  Previous program  Future work  More instruments  Acknowledgements and references  Questions

4. O AK R IDGE N ATIONAL L ABORATORY U. S. D EPARTMENT OF E NERGY 4 Purpose  Develop a GUI for the NL2SOL fitting code  Analyze data at SNS  Allow scientists to fit data without having to bother with coding or parallel computing  Run on TeraGrid from SNS portal  Add to simulation tab in portal

5. O AK R IDGE N ATIONAL L ABORATORY U. S. D EPARTMENT OF E NERGY 5 The Code Behind the GUI  NL2SOL  “Adaptive non-linear least-square algorithm”  Tested by Meili Chen  Used to fit fabricated data  Gaussian fit

6. 6 Instruments include:  BASIS  SEQUOIA  HYSPEC  GAUSSIAN Will have different fitting types here in future Gathers text and values of each component (including parameters) and sends to configuration file Properties window

7. 7 Many parameters but only few can be modified now NL2SOL code needs intial guesses to fit data Reset button Palette window

8. 8 Generated and custom code

9. O AK R IDGE N ATIONAL L ABORATORY U. S. D EPARTMENT OF E NERGY 9 Functionality  Generated code  Use Java coding for functionality  Made configuration file for NL2SOL

10. O AK R IDGE N ATIONAL L ABORATORY U. S. D EPARTMENT OF E NERGY 10 Need for GUI  Built for use at SNS  Used by instrument scientists to fit experimental data  Find trends in data  Simulation Spallation Neutron Source (aerial view)

11. O AK R IDGE N ATIONAL L ABORATORY U. S. D EPARTMENT OF E NERGY 11 TeraGrid  “TeraGrid is an open scientific discovery infrastructure combining leadership class resources at nine partner sites to create an integrated, persistent computational resource.”  Funded by the National Science Foundation ~http://teragrid.org/about/

12. O AK R IDGE N ATIONAL L ABORATORY U. S. D EPARTMENT OF E NERGY 12 TeraGrid Facilities San Diego Supercomputer Center* National Center for Atmospheric Research Texas Advanced Computing Center* National Center for Supercomputing Applications* University of Chicago/ Argonne National Lab Purdue University Pittsburg Supercomputing Center Indiana University Oak Ridge National Lab* * sites available for the fitting program

13. O AK R IDGE N ATIONAL L ABORATORY U. S. D EPARTMENT OF E NERGY 13 Putting it all together  Code and GUI  Link code to GUI  SNS portal  Add to simulation tab in portal  Run program on TeraGrid from portal Run on community account  Send results back to portal

14. 14 TeraGrid Community Account Data to portal Visualize from portal Data to portal Run on TeraGrid Choose resource SNS instrumentVisualization of raw data Visualization of processed data

15. O AK R IDGE N ATIONAL L ABORATORY U. S. D EPARTMENT OF E NERGY 15 Future work  Analyze real data from SNS  Use program for instruments  Backscattering Spectrometer (BASIS)  Fine-Resolution Fermi Chopper Spectrometer (SEQUOIA)  Hybrid Spectrometer (HYSPEC)  Make more components editable

16. O AK R IDGE N ATIONAL L ABORATORY U. S. D EPARTMENT OF E NERGY 16 Acknowledgements and References  Vickie Lynch- mentor  Meili Chen- NL2SOL code  Jim Rome- NetBeans help  NetBeans IDE 6.0- software used to create GUI  http://teragrid.org/about/- TeraGrid information  DOE Office of Science- RAMS sponsor

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