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The Role of DANSE at SNS Steve Miller Scientific Computing Group Leader January 22, The Role of DANSE at SNS Steve Miller Scientific Computing Group Leader January 22, 2007

SNS Progress Update · Ne. Xus – producing Ne. Xus files and using Ne. SNS Progress Update · Ne. Xus – producing Ne. Xus files and using Ne. Xus routinely · Data Reduction – operational for first three instruments, initially via command line, now via IDL GUI tools · Commissioning Support – providing utilities on an as needed (regular) basis · Data Management – Adapted ICAT for accommodating individual users and groups, created a “check-in” utility as a proposal system proxy · Data Portal - Utilizes user and group permissions Currently supports data browsing and metadata search ISAW visualization tools adapted for use with the portal Prototype version of the ‘Remote Display Conduit’ operational Working with HFIR and LANSCE to make their data available via the portal · Simulation - Mc. Stas integrated with SNS portal and can demonstrate running jobs via MPI on the Tera. Grid – works in progress OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 2

Upcoming SNS Talks: · John Ankner – Software Commissioning and Development for the SNS Upcoming SNS Talks: · John Ankner – Software Commissioning and Development for the SNS Liquids Reflectometer - Refl. Pak integration with SNS · Peterson – Status of the SNS/DANSE Reduction Effort - SNS Common Library · Jim Kohl – The SNS Portal: Web-Based Visualization, Analysis and Simulation · These will give more insight into SNS status, direction, and needs OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 3

OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 4 OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 4

SNS Computing Hardware in Place SW Development Support User Support Instruments & Remote Instruments SNS Computing Hardware in Place SW Development Support User Support Instruments & Remote Instruments Support Portal Server Analysis Computer Dev Portal Application Server Compute Server Development Server Database Server Dev Data Server Analysis Computer Data Storage Metadata Catalog Data Storage Repository and Web Server Software Repository Dev Database Server Metadata Catalog OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 5

SNS Science Goal for FY 07 · Demonstrate new science on first three instruments! SNS Science Goal for FY 07 · Demonstrate new science on first three instruments! · Currently able to reduce data from these instruments · Using the following analysis software: - DAVE for the Backscattering Spectrometer - Reflectometers – planning to use Refl. Pak (installed @ SNS) - Various legacy software starting to surface (mostly FORTRAN) · Needs are arising for new, advanced analysis software, or for extending existing software – this presents opportunities for DANSE OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 6

Facility Schedule OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 Facility Schedule OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 7

Instrument Commissioning Software Support Event data histogramming tools Data exploration Data reduction Calibration Tools Instrument Commissioning Software Support Event data histogramming tools Data exploration Data reduction Calibration Tools Create Ne. Xus files OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 8

Instrument Support Pattern Emerging… · Transform Initial Data to Ne. Xus data · Perform Instrument Support Pattern Emerging… · Transform Initial Data to Ne. Xus data · Perform data reduction · Discover that which needs to be automated · Produce support tools – currently using IDL · Make community or legacy code available for analysis · Currently very little time for SNS to produce analysis software… OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 9

Pathway for Transforming Raw Data • Event Histogramming • Detector to Pixel mapping • Pathway for Transforming Raw Data • Event Histogramming • Detector to Pixel mapping • Instrument Geometry • Metadata extraction • Create Ne. Xus file § Catalog and Store § Reduce Data • All subsystems functional to some degree OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 10

Future Work for FY 07 · Ne. Xus - Instrument Definitions for next instruments Future Work for FY 07 · Ne. Xus - Instrument Definitions for next instruments · Complete automated “Live Cataloging” - Serve SNS, HFIR, and LANSCE (NPDF) initially · Data Reduction - Support for next instruments · Data Management - Long term storage utilizing HPSS - ICAT-3 development with ISIS · Testing - Live Cataloging - Data browse and search - “check-in” utility OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 11

Future Work Continued · Portal Development - Continue Application Manager development Continue “Weeerd-X” integration Future Work Continued · Portal Development - Continue Application Manager development Continue “Weeerd-X” integration and test Continue Tera. Grid integration for running Mc. Stas Add more data visualization and inspection tools Incorporate data reduction within the portal Support more data formats for visualization OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 12

· The Scientific Data Management Center for Enabling Technologies (SDM) – Arie Shoshani (~$3. · The Scientific Data Management Center for Enabling Technologies (SDM) – Arie Shoshani (~$3. 3 M/yr) - Kepler for data workflows, “Dashboard”, Data Mining, SRM · Center for Technology for Advanced Scientific Component Software (TASCS) – David Bernholdt (~$3. 0 M/yr) - CCA · Center for Enabling Distributed Petascale Science (CEDPS) – Ian Foster (~2. 4 M/yr) - Pyglobus, web services, application hosting service – K. Jackson · Interactions with SNS actively being defined OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 13

Grid Computing · Continue to work closely with Neutron Science Tera. Grid Gateway (NSTG) Grid Computing · Continue to work closely with Neutron Science Tera. Grid Gateway (NSTG) located at ORNL - Running distributed version of Mc. Stas · Utilizing MPI with event mode data being produced · Enabling Mc. Stas via SNS portal and will utilize a community account · Open Science Grid - Discussions with Ruth Pordes regarding collaborations and SBIR topics - Future – to put OSG software stack on NSTG · Providing grid computing seen as key to supporting a large computing user base – we’re still learning how to do this OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 14

Mc. Stas Simulation Work · Meeting last week with the Mc. Stas development team Mc. Stas Simulation Work · Meeting last week with the Mc. Stas development team at SNS - Attending: Peter Willendrup, Emmanuel Farhi, Kim Lefmann, Vickie Lynch, Meili Chen, Peterson, Mark Hagen, Jiao Lin - Topics discussed: · · · Ne. Xus Support Event Mode data and file merging Portal access to Mc. Stas Sample kernels Parallel and Distributed computing OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 15

Summarizing the Role of DANSE at SNS · Providing analysis code to support instruments Summarizing the Role of DANSE at SNS · Providing analysis code to support instruments as they begin commissioning – getting “first science” from instruments is crucial! · Code re-use and sharing – taking first steps with the SNS common library, Ne. Xus compatibility, and data reduction · Integration with SNS portal – how to add DANSE apps to this portal · Compatibility with grid computing – Tera. Grid and OSG in particular · Compatibility with Sci. DAC efforts which SNS will be involved OAK RIDGE NATIONAL LABORATORY U. S. DEPARTMENT OF ENERGY DANSE Workshop 1/22 -23/07 16