The Role of DANSE at SNS

The Role of DANSE at SNS

Steve Miller

Scientific Computing Group Leader

January 22, 2007

OAK RIDGE NATIONAL LABORATORYU. S. DEPARTMENT OF ENERGY

2DANSE Workshop1/22-23/07

SNS Progress Update

NeXus – producing NeXus files and using NeXus 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 McStas integrated with SNS portal and can demonstrate running jobs via

MPI on the TeraGrid – works in progress



Upcoming SNS Talks:

John Ankner – Software Commissioning and Development for the SNS Liquids Reflectometer ReflPak integration with SNS

Pete 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





SNS Computing Hardware in Place

Analysis Computer

Portal Server

DataServer

DataStorage

ApplicationServer

DevelopmentServer

DatabaseServer

MetadataCatalog

ComputeServer

Repositoryand WebServer

Software Repository

Analysis Computer

DevPortal

Instruments &Remote Instruments

Support

SW Development Support

User Support

Dev DataServer

DataStorage

Dev DatabaseServer

MetadataCatalog



SNS Science Goal for FY07

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 ReflPak (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



Facility Schedule



Instrument Commissioning Software SupportEvent data histogramming tools

Calibration Tools

Data exploration

Data reduction

Create NeXus files



Instrument Support Pattern Emerging…

Transform Initial Data to NeXus 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…



Pathway for Transforming Raw Data

• Event Histogramming

• Detector to Pixel mapping

• Instrument Geometry

• Metadata extraction

• Create NeXus file

Catalog and Store

Reduce Data

• All subsystems functional to some degree

Data Reduction



Future Work for FY 07

NeXus 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



Future Work Continued

Portal Development Continue Application Manager development Continue “Weeerd-X” integration and test Continue TeraGrid integration for running McStas Add more data visualization and inspection tools Incorporate data reduction within the portal Support more data formats for visualization



The Scientific Data Management Center for Enabling Technologies (SDM) – Arie Shoshani (~$3.3M/yr) Kepler for data workflows, “Dashboard”, Data Mining, SRM

Center for Technology for Advanced Scientific Component Software (TASCS) – David Bernholdt (~$3.0M/yr) CCA

Center for Enabling Distributed Petascale Science (CEDPS) – Ian Foster (~2.4M/yr) Pyglobus, web services, application hosting service – K. Jackson

Interactions with SNS actively being defined



Grid Computing

Continue to work closely with Neutron Science TeraGrid Gateway (NSTG) located at ORNL Running distributed version of McStas

Utilizing MPI with event mode data being produced Enabling McStas 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



McStas Simulation Work

Meeting last week with the McStas development team at SNS Attending: Peter Willendrup, Emmanuel Farhi, Kim Lefmann,

Vickie Lynch, Meili Chen, Pete Peterson, Mark Hagen, Jiao Lin Topics discussed:

NeXus Support Event Mode data and file merging Portal access to McStas Sample kernels Parallel and Distributed computing



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, NeXus compatibility, and data reduction

Integration with SNS portal – how to add DANSE apps to this portal

Compatibility with grid computing – TeraGrid and OSG in particular

Compatibility with SciDAC efforts which SNS will be involved

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The Role of DANSE at SNS

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