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DANSE Review – SNS/HFIR Update. Steve Miller Scientific Computing Group Leader Neutron Scattering Science Division (NSSD) Spallation Neutron Source May 31, 2007. Overview. SNS/HFIR (NSSD) Facility and Software Updates Feedback from Instrument Scientists DANSE – SNS integration Summary.

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danse review sns hfir update

DANSE Review – SNS/HFIR Update

Steve Miller

Scientific Computing Group Leader

Neutron Scattering Science Division (NSSD)

Spallation Neutron Source

May 31, 2007

overview
Overview
  • SNS/HFIR (NSSD) Facility and Software Updates
  • Feedback from Instrument Scientists
  • DANSE – SNS integration
  • Summary

DANSE Review

instrument hutch
Instrument Hutch
  • Workplace for users
  • Data acquisition system
  • Analysis computer

DANSE Review

hifr will run 3 cycles in fy07
HIFR will run 3 cycles in FY07
  • Run cycles 408 and 409 are internal run cycles with collaborative users
  • Run cycle 410 supports the full user program

DANSE Review

general user proposal call scheduled
General User Proposal Call Scheduled
  • Announce June 1, 2007
  • Use Integrated Proposal Management System
  • Accept proposals for
    • HFIR instruments
      • Ames Lab Triple Axis (HB 1a)
      • Triple-Axis Spectrometers (HB 1 and HB 3)
      • Residual Stress (HB 2B)
      • SANS (CG 2 and CG 3)
    • SNS instruments
      • Backscattering Spectrometer (BL 2)
      • Magnetism Reflectometer (BL 4a)
      • Liquids Reflectometer (BL 4b)
  • Accommodate requests for CNMS capabilities

DANSE Review

scientific computing scope
Scientific Computing Scope
  • Data lifecycle management – “packaging” of raw data, metadata cataloging, data storage, long-term data archive, data retrieval
  • Experiment support – live histogramming and data reduction
  • Data reduction and visualization (via desktop or portal)
  • Analysis and simulation software – DANSE plays a key role here
  • Support instrument commissioning
  • Provide support for all instruments at SNS and HFIR

DANSE Review

nssd scientific computing software team
NSSD Scientific Computing Software Team
  • NSSD Scientific Computing Group: Steve Miller, Pete Peterson, Michael Reuter, Jean Bilheux, Shelly Ren
  • CSMD Network and Cluster Computing Group: Jim Kohl, Sudharshan Vazhkudai, Jens Schwidder – 1.5 FTE total
  • UT Software Quality Research Lab: Tom Swain, Bradford Smith – 0.5 FTE
  • Tech-X: Mark Green – 0.25 FTE
  • Neutron Science TeraGrid Gateway: John Cobb, Greg Pike, Vickie Lynch, Meili Chen – NSF Funded
  • Room to grow? YES!!!

DANSE Review

computer network diagram
Computer Network Diagram

Drawing Courtesy of Tom Swain

DANSE Review

sns computing resources available for danse
SNS Computing Resources Available for DANSE
  • Instrument Analysis computers
  • SNS compute and application servers
  • ARCS cluster now resident at SNS
  • Neutron Science TeraGrid Gateway (NSTG)
  • ORNL OIC clusters (future)
  • ORNL Super Computers (future)

DANSE Review

protection zone overview target
Protection Zone Overview (target)

Slide Courtesy of

Victor Hazelwood

DANSE Review

benefits of an open research enclave
Benefits of an Open Research Enclave
  • Straight forward and centralized means for providing users computer accounts via the XCAMS system in place at ORNL.
  • XCAMS accounts can be used for both web applications AND for logging in to instrument analysis computers.
  • Remote desktop applications such as NX (VNC-like) can be supported.
  • Maintain the ability to centrally manage both user accounts and computer resources.
  • Users will have the same “look and feel” computing experience from instrument to instrument.
  • Data can be centrally located utilizing uniform access policies.

DANSE Review

citrix windows remote application server
Citrix – Windows Remote Application Server

http://uchi.ornl.gov

DANSE Review

feedback from sns instrument scientists
Feedback from SNS Instrument Scientists
  • Instrument teams for next commissioning instruments desire to have DANSE software in place prior to first neutrons (the earlier the better for them).
    • DANSE diffraction software coming along well
    • To start with for SANS, SNS plans to produce data reduction software and utilize existing IGOR Pro software
    • CNCS can utilize similar software as ARCS
    • Analysis software for SNAP high pressure single crystal diffractometer less certain what is/will be available
  • Scientists keep an eye on software performance:
    • Execution speed
    • Handling of large data sets
    • Easy to install and use (many prefer windows platforms)
    • Easy to program, configure, or adapt
    • Reliable – both in stability and accuracy of results

DANSE Review

feedback continued
Feedback - continued
  • NSSD Science Groups:
    • Low Q: SANS and Reflectometry
    • TOF Inelastic
    • Powder Diffraction
    • Single Crystal Diffraction
    • Triple Axis (HFIR instruments only)
  • Science group leaders are beginning to understand the DANSE project scope and are building their software plans based upon the level of support from DANSE.
    • Note that DANSE supports 3 of 5 science groups at SNS/HFIR, but provides less support for the single crystal diffraction and triple axis groups.

DANSE Review

some metrics for danse interactions sns
Some Metrics for DANSE interactions SNS
  • Number of UCAMS (ORNL) computer accounts:
    • Currently 8 DANSE team members possess UCAMS (not XCAMS) accounts. These UCAMS accounts enable users to access SNS resources such as computers and repositories.
    • Eight is a reasonably good number of users given the current number of instruments on-line, and this number is likely to increase as more instruments approach commissioning.
    • It takes time to get a UCAMS account – especially for foreign nationals.
  • Number of DANSE applications in use at SNS:
    • Currently count two: ReflPak and PDFgui.
    • Note that we are still understanding the role of the ARCS cluster recently installed at SNS and DANSE software which may be available via that machine.
  • Number of visits between facilities:
    • DANSE developer’s meeting held at ORNL in January ‘07
    • Jiao Lin at SNS in November ‘06, January, and May ’07 to work at SNS
    • SNS personnel attended DANSE meeting at Caltech in August ‘06

DANSE Review

summary and observations
Summary and Observations
  • SNS has developed the capability to produce software up thru data reduction and is in need of advanced analysis software produced by the DANSE project.
  • DANSE awareness at NSSD is rising and thought processes have transitioned from “if” to “what and how” – DANSE is taking root and we have some metrics to show this. Currently the most important metric for SNS is DANSE software in-use on-site.
  • SNS instrument teams have strong wishes to have DANSE software available before their users come. Some teams are already using DANSE software, and additional teams are actively planning and depending on using DANSE software.

DANSE Review