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CSM 2011 Highlight Archive

ORHS Student Wins

Gloria D’Azevedo, a senior at Oak Ridge High School, won first place in the Tennessee Junior Science & Humanities Symposium for her research on improving elimination orderings for tree decompositions. She was awarded a $2000 college scholarship and an all-expense paid trip to the national JSHS, where she will compete for additional scholarships. Gloria’s research was conducted at Oak Ridge National Laboratory with Blair D. Sullivan and Chris Groer as part of the DOE ASCR Applied Mathematics project “Scalable Graph Decompositions & Algorithms to Support the Analysis of Petascale Data“. Gloria showed computationally that incorporating graph parameters such as the number of second neighbors of a vertex into traditional degree- and fill-based algorithms for choosing an elimination ordering can lead to significantly lower tree-widths. The impact of tree-width on the complexity of tree-decomposition based graph analysis algorithms is exponential, so this new idea for improving orderings could lead to significant speed-up.

Colony Team Boots Advanced Kernel

The Colony team reached a milestone this month by booting a new operating system kernel. Through successfully bringing up the advanced kernel on a Cray XT with a Seastar interconnect, the team paves the way for the next phase of performance and scalability testing. Unlike the typical Linux kernel which suffers performance drawbacks, the new kernel is designed to provide a full featured environment with excellent scalability on the world’s most capable machines. As coordinated stop-lights are able to improve traffic flow, the Colony system software stack is able to co-schedule parallel jobs and thus remove the harmful effects of operating system noise or interference through the use of an innovative kernel scheduler. The kernel utilizes a high precision clock synchronization algorithm developed by the Colony team to provide federated nodes with a sufficient global time source for the required coordination. The Colony Project is led by ORNL computer scientist Terry Jones.

Applied mathematicians include land ice in global climate models

Recently, Rhode-Island-sized chunks of ice have separated from Greenland and Antarctica, garnering worldwide attention. But is this calving due to typical seasonal variations or a long-term warmer world? Climate scientists already use ice sheet models to better understand how ice loss affects sea levels; however, those models are not easily adapted for use in global climate models. In August the Scalable, Efficient, and Accurate Community Ice Sheet Model (SEACISM) project began on Jaguar, one of the world’s fastest supercomputers, at Oak Ridge National Laboratory (ORNL). SEACISM’s aim is to use state-of-the-art simulation to predict the behavior of ice sheets under a changing climate by developing scalable algorithms. Continue reading...

Award recognizes achievement in scaling computational chemistry application

CSMD's computational chemist Edoardo Aprà is winner of this year’s HPCwire Reader’s Choice Award in supercomputing achievement.

The awards were passed out Monday, November 10, in New Orleans at the 2010 International Conference for High Performance Computing, Networking, Storage and Analysis, better known as SC10.

Aprà was honored for his work with a computational chemistry application known as NWChem, which was developed at Pacific Northwest National Laboratory. Under Aprà’s guidance, the application reached 1.39 thousand trillion calculations per second, or 1.39 petaflops, on ORNL’s Cray XT5 Jaguar system.

NWChem helped Aprà and his colleagues uncover the electronic structure of water using a quantum chemistry technique called coupled cluster. They published some of their scientific results in the October 12 issue of the Journal of Physical Chemistry Letters (pubs.acs.org/doi/full/10.1021/jz101245s). The team was also a finalist for the prestigious 2009 Gordon Bell Prize, which recognizes the world’s top supercomputing application.

“Top supercomputing achievement” is one of about 20 categories offered in the awards. The Readers’ Choice winners are determined through polling among HPCwire’s online audience. The site’s 30,000 newsletter subscribers are also asked to vote.

Powerful Supercomputer Peers into the Origin of Life

Supercomputer simulations at the Department of Energy's Oak Ridge National Laboratory are helping scientists unravel how nucleic acids could have contributed to the origins of life.

A research team led by Jeremy Smith, who directs ORNL's Center for Molecular Biophysics and holds a Governor's Chair at University of Tennessee, used molecular dynamics simulation to probe an organic chemical reaction that may have been important in the evolution of ribonucleic acids, or RNA, into early life forms.


Scientists Explain Graphene Mystery

A research team led by ORNL's Bobby Sumpter, Vincent Meunier and Eduardo Cruz-Silva has discovered how loops develop in graphene, an electrically conductive high-strength low-weight material that resembles an atomic-scale honeycomb.

Structural loops that sometimes form during a graphene cleaning process can render the material unsuitable for electronic applications. Overcoming these types of problems is of great interest to the electronics industry.

"Graphene is a rising star in the materials world, given its potential for use in precise electronic components like transistors or other semiconductors," said Bobby Sumpter, a staff scientist at ORNL. Read MORE

Ostrouchov Named ASA Fellow

George Ostrouchov, a computational statistics researcher in the Computer Science and Mathematics Division at Oak Ridge National Laboratory and a member of the SciDAC Visualization and Analysis Center for Enabling Technologies, was elected Fellow of the American Statistical Association (ASA) "For excellent and sustained research and collaboration involving the statistical analysis of massive data sets, and for outstanding service to the mathematical sciences community."

The award was presented in August at the Joint Statistical Meetings (JSM ) in Vancouver, Canada. There, he also gave an invited presentation "Parallel Statistical Computing: Are we Embracing the Scalable Concurrency Revolution?"

The JSM is the largest annual gathering of statisticians in the world.

   CSM Projects   
   Advanced Simulation Capability for Environmental Management (ASCEM)   
   The Center for Simulation of RF Wave Interactions with Magnetohydrodynamics (SWIM)   
   Coordinated Infrastructure for Fault Tolerant Systems (CIFTS)   
   Hybrid Multi-Core Consortium   
   Integral Equation Technology   
   MADNESS (Multiresolution Adaptive Numerical Environment for Scientific Simulation)   
   NEAMS Integrated Computational Environment (NiCE)   
   Nuclear Energy Advanced Modeling and Simulation (NEAMS)   
   Reliability, Availability, and Serviceability (RAS) for Petascale High-End Computing and Beyond   
  INCITE Allocated Projects  
   Advanced Simulations of Plasma Microturbulence at the Petascale and Beyond   
   Cellulosic Ethanol: Simulation of Multicomponent Biomass System   
   Climate-Science Computational Development Team: The Climate End Station II   
   High-Fidelity Simulations for Advanced Engine Combustion Research   
   High Fidelity Tokamak Edge Simulation for Efficient Confinement of Fusion Plasma   
   Investigation of Multi-Scale Transport Physics of Fusion Experiments Using Global Gyrokinetic Turbulence Simulations   
   Magnetic Structure and Thermodynamics of Low Dimensional Magnetic Structures   
   Nuclear Structure and Nuclear Reactions   
   Performance Evaluation and Analysis Consortium End Station   
   Petascale Modeling of Chemical Catalysts and Interfaces   
   Three Dimensional Simulations for Core Collapse Supernovae   
   Ultrascale Simulation of Basin-Scale CO2 Sequestration in Deep Geologic Formations and Radionuclide Migration using PFLOTRAN   
   Uncertainty Quantification for Three-Dimensional Reactor Assembly Simulations   
   Understanding the Ultimate Battery Chemistry: Rechargeable Lithium/Air