TeraGrid Arch Meeting RP Update: ORNL

1. TeraGrid Arch MeetingRP Update: ORNL July 16, 2009(This day in history: July 16, 1945: Alamogorda: Trinity) John W. Cobb

2. Outline • Neutron Science TeraGrid Gateway Activities • NSTG Cluster Operations • SNS Status • Other Collaborations: REDDnet and Sinergie • Summer (and longer) students (say hello) • SULI: Nicholas Dexter • RAMS: Adeola Odutola • ASTRO Chris Sellers and Henri Monti • ARC Summer Institute ongoing

3. Neutron Science TeraGrid Gateway Activities 1/2 • McStas instrument simulations available from portal and routinely tested for reliability and usability. (not new) • Fitting service (NL2solv least squares and DAKOTA various methods) with GUI available from dev portal (new) • SULI Summer student (Dexter) developing Bayesian fitting scattering peaks for powder diffractometers and quasi-inelastic scattering peaks (Gaussians, Lorentzians and other common shapes) current status: proof of principal complete. Example data comparison starting.

4. Neutron Science TeraGrid Gateway Activities 2/2 • RAMS student, Odutola, developing a loosely coupled app for portal deployment of Bayesian fitting service. Goal: more intuitive displat of summary property sheet, data, goodness of fit and animated update of fit by iteration. Using RAPPTURE to compare aesthetic quality of output and effort per function required of RAPPTURE with IDL-based loosely coupled apps.

5. NSTG Cluster Operations • OS upgrade to Sci. Linux continues. Work is now on deploying and testing and validating CTSS kits on compute nodes • ORNL and NICS Router co.mplete and relatively uneventful (a good thing) • Cluster Admin Giles installed fail2ban on service nodes to cut down unfriendly password login attempts. It seems to help. • File system stability and performance has intermittently been a problem. Root cause not certain at this point. Has let to some planned and unplanned downtime (Thanks and apologies to B. Loftis for helping up chase issue)

6. SNS Status 1/2 • http://neutrons.ornl.gov/portal/ (SNS with NSTG) • SNS just completing a long’ish run schedule. Beam performance and user satisfaction seem good. Next SNS run cycle in the Fall. • Beam power up to 850 KW (= more neutrons) • Instruments in user program and commissioning baseline unchanged. • SNS responding to operational review. Some software action items, including increased focus on discipline (i.e. beamline) science support.

7. Other Collaborations - REDDnet • http://www.reddnet.org/ • Potential: As LCH starts data generation in Fall, there may be a need for additional computational cycIes. Data movement, especially to tier 3 may (or may not) collectively tax research networks. • A data pulse transfer model could be useful • REDDnet is positioned to be useful: • Increasing number of deployed depots • Integration ROOT analysis tool • Integration with OSG VO models • Incorporation of many HEP interested researchers, particularly HI folks • REDDnet presented a tutorial atTG’09

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 • Status: funded: • Successful Kickoff meeting (Zurich) just finished (July 6-10). Lynch attended. Much excitement on new optimization software. ORNL working to determine algorithmic choice (GA, swarms, or differential GA) before end of CY.

9. ARC Summer Institute ongoing 1/2 • Again this year, the ORNL RP is mentoring a set of students for the Appalachian Regional Commission’s (ARC) Summer Science institute. • Oak Ridge Associated Universities manages this program for ARC. This yearARC’s institute include 18 teachers and 36 students (K-12) in the 13 state ARC region • http://www.orau.org/arc-ornl/2009/

10. ARC Summer Institute ongoing 2/2 • This year’s ORNL TG project: • has 4 secondary school students • is being led by Jim Rome • is occurring over two weeks July 13-24 • Our session is concentrating on programming/optimization/algorithms for optimal Air traffic control (may sound familiar to the Student porgamminf contest folks at TG’09) • Is currently at the Tyson FAA tower in Alcoa today • Will have an “experiential” exercise Monday morning – “Be the plane”, “don’t crash”, “avoid the storm”, “make the most connections”

11. Closing • Summer is fun, The students and ARC program (and the weather) make this Summer especially enjoyable. But parking is bad. • Last ORNL workforce: ORNL had >5,000 visitors/ assignees over the last year – more visitors than the staff! – and they keep scavenging parking lots for construction! (Wenge) GRADUATED ENFORCEMENT PENALTIES 1st Ticket – Considered a warning to employee 2nd Ticket – Referred to employee's supervisor for oral reprimand 3rd Ticket – Referred to Level 2 manager for written reprimand 4th Ticket – Referred to Level 1 for disciplinary action Blocking emergency access – towed to an on-site impoundment lot (7000 area) and Level 1 notified for appropriate discipline. Garage will not release vehicle to owner without a charge code (~$150/vehicle). Note: For all of the above, owner may be requested to relocate vehicle within one hour or risk being towed.