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TeraGrid Arch Meeting RP Update: ORNL

TeraGrid Arch Meeting RP Update: ORNL. February 25, 2010 John W. Cobb. Outline. NSTG transition planning to indefinite, sustainable operations NSTG Cluster Operations, Ongoing Neutron Science TeraGrid Gateway Activities SNS Status Sinergie Update.

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TeraGrid Arch Meeting RP Update: ORNL

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  1. TeraGrid Arch MeetingRP Update: ORNL February 25, 2010 John W. Cobb

  2. Outline • NSTG transition planning to indefinite, sustainable operations • NSTG Cluster Operations, Ongoing • Neutron Science TeraGrid Gateway Activities • SNS Status • Sinergie Update

  3. NSTG transition planning to indefinite, sustainable operations • NSTG efforts will continue on Year 6 • Year 6 is a transition for this resource • Plans beyond yr6: • Remain an RP/SP • Contributory structure. SNS will contribute most cost of operations • Some operations will cease • Main purpose will remain to closely connect high end computing resources to experimental facilities. Facilitate data movement and interaction. • Some staff will transition to SNS. Some will leave the TeraGrid environment • During Year 6, ORNL TeraGrid enclave will physically move to SNS (from ORNL machine room). • The network connection will remain, indefinitely (A No-op)

  4. NSTG Cluster Operations • OS upgrade to Sci. Linux complete (may be old news to some) • NSTG cluster continues to be available to all allocated TRAC and startup users. • It’s main purpose is as an “on ramp”, particularly for NSTG related activities. • Is available, subject to its inherent limits (including small size). Perhaps most appropriate for training and introduction to TeraGrid SW environment. • Willing to support reserved used and, upon request, long access. • Remains IA-32, which is now somewhat unique. May be useful for some dusty deck problems. • David Giles continues to provide system administration. During 2010 we hope to add/transition to a SNS system admin as well.

  5. Neutron Science TeraGrid Gateway Activities • Beginning work on assistance with Imaging Instrument team. • Data intensive (think in analogy to microscopy efforts, but much more data intensive than when we did this 15 years ago) • 1 TB today, expected 25 TB by Summer. Scoping to handle 1 Tb/s during instrument operations in ~ 2015 time frame (unsolved currently) • Continuing McStas offerings • Initiating a yr6 effort on interactive, portal viz of std. file types

  6. SNS Status 1/2 • http://neutrons.ornl.gov/portal/ (SNS with NSTG) • SNS just starting a new run schedule. Beam performance and user satisfaction seem good. • Instruments in user program and commissioning baseline unchanged. • SNS preparing for April operational review, including some items conerning software noted in the last review. Science support of software continues to be a strong theme.

  7. SNS Status 2/2 • Year # of NeXus files Ave file size (MB) Ave event file size (MB) • 2006 1043 71.85 25.17 • 2007 4908 7.03 12.94 • 2008 24262 11.70 48.65 • 2009 31337 19.17 46.95 • 2010 346 8.28 51.63

  8. Other Collaborations - Sinergie • Project to Study diffuse scattering in single crystal experiments (X-ray and Neutron). Funded by Swiss NSF. Team: • ETH: H.B. Burgi, K. Baldridge, PostDoc • ORNL-SNS: C. Hoffman, S. Miller, P. Peterson, Tara Michels-Clark • ORNL TG: V. E. Lynch, J. W. Cobb • MTSU: T. Koritansky, • Others (Mikkelsons, UW-stout, Correlli inst. Design team, …) • Scope: • Define computational tools for structure determination for diffuse scattering • Alternating bond lengths, • Correlated defects, • Lattice location substitution • Distinguishing from background • Developing scalable parallel fitting codes (GA’s perhaps) • Apply to X-rays and Neutrons • Use refinement by studying similar samples in X-Rays AND neutrons • Staff: Vicki Lynch and Tara Michels-Clark. • Initial project: advanced GA optimization for structure determination. Vicki and Tara are developing and deploying a parallelized algorithm on HPC systems • Following up successful Zurich Kickoff meeting last fall, Sinergie will meet in Oak Ridge in April.

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