2006 XSD Scientific Software Workshop

Date: August 29, 2006

Time: 9:00-5:40

Location: Building 401/A1100

Coordinators: Kenneth Evans, Jr., Francesco De Carlo, Pete Jemian, Jonathan Lang, Ulrich Lienert, John Maclean, Matt Newville, Brian James Tieman, Brian H. Toby, Michel A. Van Veenendaal

The purpose of this 2006 XSD Scientific Software Workshop on behalf of the X-ray Science Division at the APS is to determine our fundamental needs and opportunities in scientific software systems for x-ray data reduction, analysis, modeling and simulation.

Specifically, the workshop report is to address the following questions:

  1. What is the current status of scientific software availability at APS beamlines? What scientific opportunities are addressed by the current software?
  2. How would optimal scientific software and analysis systems improve the scientific impact of APS? Can we prioritize APS data analysis software needs? What new analysis tools will be needed in the future?
  3. What is the best way to satisfy the demand for improved scientific software? What is the optimum path for software development efforts within XSD to achieve the objectives?

The APS management has stated that "Attaining our goal of maximizing the scientific productivity and impact will demand not only changes in beamline configuration but also improved detectors and software for data reduction and analysis.... Providing robust data reduction, data analysis, modeling and simulation software to our users is an important enabler to increase the volume of high-impact APS results. This program has very high priority, and will be pursued simultaneously with the highest priority beam line upgrades."

The results of this workshop will help formulate such a software program.

A list server has been set up for XRAYS: X-Ray Analysis Software.  Information about the list, including how to suscribe, is available at http://www.aps.anl.gov/mailman/listinfo/xrays, and the archives are available at http://www.aps.anl.gov/Mailman/archives/public/xrays/2006-June/date.html.

Reports:

2006 XSD Scientific Software Workshop Report (ANL/APS/TB-51)

2006 XSD Scientific Software Workshop - Survey Responses (ANL/APS/TB-52)

Scientific Software Section:

As a result of the workshop and the recommendations made in the above reports, a Scientific Software Section has been established at the APS. More information can be found here.

Program:

Tuesday, August 29
9:00-9:10 Introduction Gabrielle Long (APS-XSD) 
9:15-9:45 Data Archive and Science Software Tools in Ground-Based and Space Astronomy Knox Long (Space Telescope Science Institute)
9:50-10:20 DANSE Michael McKerns (Caltech)
10:25-10:45 Visualization and Analysis with ISAW Tom Worlton (PNS)   
10:50-11:10 Break  
11:15-11:35 Software Development at SNS Steve Miller (SNS)
11:40-12:00 Visualization, Collaboration, and the Grid Michael E. Papka (MCS) 
12:05-12:25 A User's Perspective on Software - Lesson's Learned from DANSE Ersan Ustundag (Iowa State Univ.)
12:30-1:30 Lunch  
1:35-1:55 NeXus: The Advantages of a Common Data Format Ray Osborn (MSD)
2:00-2:20 Workbenches, Toolboxes, and Frameworks Ken Evans (APS-AES)
2:25-2:40 Workflow of the Data Analysis Process Pete Jemian (APS-AES)
2:45-3:00 Software and Hardware Solution for the Tomography System at Sector 2 Francesco DeCarlo (APS-XSD)
3:05-3:20 Break     
3:25-3:40 Powder Diffraction Crystallography Software: the Present & Future Brian Toby (APS-XSD)
3:45-4:00 Simulation and Modeling Michel VanVeenendaal (APS-XSD)
4:05-4:20 XAFS Analysis and Modeling Matt Newville (APS-XSD)
4:25-5:25 Discussion  

 

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