CSMD Community Service
Rick Archibald, Member, ORNL Operations Committee
Rick Archibald, Editor, International Journal of Computer Mathematics
Rick Archibald, Organizer, SIAM UQ workshop: Efficient Simulation of Rare Event
Rick Archibald, Member, Thesis advisory committee for Gabriel Wasserman, ASU
David E. Bernholdt, program committee, 14th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid)
David E. Bernholdt, organizing committee, ASCR Workshop on Software Productivity for Extreme-Scale Science (SWP4XS)
David E. Bernholdt, reviewer, Computing in Science and Engineering
David E. Bernholdt, invited participant, BER Workshop on Computational Challenges for Mechanistic Modeling of Terrestrial Environments (CCMMTE)
David E. Bernholdt, PhD thesis external examiner, Australian National University
Ed d'Azevedo, Co-organizer, Mini symposium "Solving Large-scale Linear Systems of Equations on Heterogeneous Distributed-memory Computers" at the SIAM Conference on Parallel Processing for Scientific Computing (PP14) Feb 18-21, 2014
Ed d'Azevedo, Co-organizer, Mini symposium "Recent Advances in Particle-in-Cell Method on Multicore and GPU Systems" at the SIAM Conference on Parallel Processing for Scientific Computing (PP14) Feb 18-21, 2014
Eirik Endeve, Reviewer, Article for Classical and Quantum Gravity
Christian Engelmann, technical program committee vice-chair (programming models, systems and fault-tolerant computing track), IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) 2014
Christian Engelmann, reviewer, IEEE Transactions on Computers (TC)
Christian Engelmann, technical program committee member, Workshop on Solving Problems with Uncertainties, in conjunction with the International Conference on Computational Science (ICCS) 2014
Igor Jouline was elected as the vice-chair (in 2016) and chair (in 2018) of the Gordon Research Conference on Sensory Transduction in Microorganisms
Christos Kartsaklis, Program Committee Member, The 24th ACM Workshop on Network and Operating Systems Support for Digital Audio and Video (NOSSDAV) co-located with ACM Multimedia Systems 2014 (MMSys 2014)
Christos Kartsaklis, Program Committee Member, Tools for Program Development and Analysis in Computational Science workshop at the International Conference on Computational Science 2014 (ICCS 2014)
Christos Kartsaklis, program committee member, 19th International Workshop on High-Level Parallel Programming Models and Supportive Environments (HIPS 2014), in conjunction with the 28th IEEE International Parallel & Distributed Processing Symposium (IPDPS 2014)
Seyong Lee, Reviewer, ACM Transactions on Architecture and Code Optimization (TACO), 2014
Dong Li, program committee, IEEE/ACM CCGrid 2014
Dong Li, program committee, The Fourth International Workshop on Accelerators and Hybrid Exascale Systems, in association with IEEE International Parallel and Distributed Processing Symposium, 2014
Dong Li, program committee, International Supercomputing Conference, 2014
Dong Li, Program Committee, poster session, International Conference on Performance Engineering, 2014
Tiffany M. Mintz, judge, Tennessee Technology Student Association (TSA) State Conference Inventions & Innovations event
Sarah Powers, FY14 Householder selection committee member, ORNL
Sarah Powers, technical reviewer, RNSD Level-3 milestone report, ORNL
Pavel Shamis, co-chair, First OpenSHMEM Workshop: Experiences, Implementations and Tools
Sarat Sreepathi, Reviewer, DOE Small Business Innovation Research (SBIR) Phase II proposals, 2014
Miroslav Stoyanov, Contributor, Science Saturday at West High School
John Turner, External Reviewer, Los Alamos National Laboratory LDRD titled "Disruptive Innovation in Numerical Hydrodynamics"
Geoffroy Vallee, program committee, 5th International Conference on Cloud Computing, GRIDs, and Virtualization
Jeffrey Vetter, Program Committee, ACM ICS 2014
Jeffrey Vetter, Program Committee, ACM PPOPP 2014
Jeffrey Vetter, Technical Program Deputy Chair, SC14
Clayton Webster, Member, ORNL Seed Committee
Clayton Webster, Member, ORNL Russell Fellowship Committee
Clayton Webster, Chair, ORNL Householder Fellowship
Clayton Webster, Member, Organizing Committee: SIAM Meeting on Uncertainty Quantification, March 31 - April 4
Clayton Webster, Organizer, SIAM UQ mini-symposium: Numerical Approximation of High-dimensional Stochastic Equations (4 parts)
Clayton Webster, Organizer, SIAM UQ mini-symposium: Uncertainty Quantification Driven by Large-Scale Applications
Clayton Webster, Organizer, SIAM UQ mini-symposium: Uncertainty in Environmental Evaluation and Management (2 parts)
Clayton Webster, Organizer, SIAM UQ mini-symposium: Uncertainty Quantification for Extreme-scale High Performance Computing
Clayton Webster, Chair, SIAM UQ: The Theory Behind Reduced Basis Methods
Patrick Worley, Program Committee, LSPP 2014
Patrick Worley, Associate Editor, Parallel Computing
Conference on Data Analysis (CoDA) 2014
CSMD had a strong presence at the CoDA conference, which is a new biennial conference series for "Exploring Data-Focused Research Across the Department of Energy" that takes place in Santa Fe, NM. This year's conference was March 5-7. The invited program featured sessions on data-intensive applied science, uncertainty quantification, national security, big data and exascale computing, energy and the environment, and signature discovery. ORNL participation included all aspects of the conference:
George Ostrouchov (CSMD/SDG), Organizing Committee and Poster
Kate Evans (CSMD/CES), Plenary talk
Yuan Tian (CSMD/SDG), Invited talk
Cynthia Gu (CSMD/SDG), Poster
Damian M. Maddalena (CSMD/CES), Poster
Sarah Powers (CSMD/CSR), Poster
The conference had a single track of plenary and invited talks and a poster session. Many have noted that this was likely the best conference of the year due to its great opportunities for interaction between attendees. On the fun side, the conference banquet talk was by Amanda Cox, a Graphics Editor at the New York Times, who recently won the American Statistical Association's Excellence in Statistical Reporting Award. Her talk was on "Sketching the News: Data Graphics at the New York Times." As a side note, the 2012 conference banquet talk was "Blowing Stuff Up for Science: Explosives Experiments with the Myth Busters." These will be hard to surpass at the next meeting in 2016.
Jay Jay Billings
ORNL joined the Eclipse Foundation, which manages both an open source community and the development of the popular Eclipse Integrated Development Environment. The effort to join the Foundation was led by Jay Jay Billings of the Computer Science Research group to address several pressing issues for the NEAMS Integrated Computational Environment (NiCE).
Membership in the Foundation includes many benefits and applies site-wide to all UT-Battelle employees and subcontractors (including ORAU/ORISE post-graduates). In addition to providing access to a user base of more than nine million users for Eclipse projects, the Eclipse Foundation also provides marketing and advertising support, intellectual property-friendly contributor agreements to help with contributions to projects from third-party developers and access to hundreds of skilled developers from some of the biggest (and smallest!) companies in the tech sector. The process of proposing new projects is also streamlined for members since the necessary agreements are already in place.
Membership also allows ORNL to participate in the new Eclipse Science Working Group (SWG). The SWG is focused on creating new, science-focused Eclipse projects with completely new code bases or contributions from Foundation members in a technology-agnostic setting (read "not only Java projects"). The SWG also acts as a support community related to scientific activities projects with Eclipse.
Jay pursued membership in the Foundation primarily because of growing contributions from external collaborators to NiCE. Each contributing organization has its own set of policies related to open source software, intellectual property rights and code contributions, so the easiest and safest route was to creating a new project with a third party software Foundation. Since NiCE is based on the Eclipse Rich Client Platform and the NiCE team has been involved with the community for a number of years, the Eclipse Foundation was the obvious choice. A proposal to create the Eclipse Integrated Computational Environment, with NiCE as the initial contribution, is currently under review.
David E. Bernholdt, reviewer for Parallel Computing
David E. Bernholdt, reviewer for IEEE International Conference on Computational Science and Engineering (CSE)
David E. Bernholdt, reviewer for Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA)
David E. Bernholdt, reviewer for Workshop on Software Engineering for High Performance Computing in Computational Science and Engineering (SE-HPCCSE)
Christian Engelmann, reviewer, IEEE Transactions on Parallel and Distributed Systems (TPDS)
Christian Engelmann, reviewer, International Journal of High Performance Computing Applications (IJHPCA)
Christian Engelmann, technical program committee member, IEEE International Conference on High Performance Computing and Communications (HPCC)
Christian Engelmann, technical posters program committee member, International Conference for High Performance Computing, Networking, Storage and Analysis (SC) 2013
Kate Evans served as a panelist for "Effective Strategies for underrepresented groups" at the National Laboratories Professional Development Workshop (CMD-IT NLPDev 2013), June. 13, 2013.
Kate Evans spoke to educational groups at Harnessed Atom Curriculum Program, Oak Ridge Institute for Research and Education, through the Department of Nuclear Energy, Oak Ridge, TN, July, 2013.
Kate Evans spoke to educational groups at Oak Ridge Science Camp for Middle School Students, Oak Ridge Institute for Research and Education, Oak Ridge, TN, July, 2013.
Kate Evans spoke to educational groups at Austin Peay Governor's school visit, Oak Ridge National Laboratory, Oak Ridge, TN, June, 2013.
Kate Evans gave the plenary talk at the Math of Planet Earth conference in Melbourne, Australia, July 2013
Manjunath Gorentla Venkata, program committee member, Workshop on Power-aware Algorithms, Systems, and Architectures (PASA)
Manjunath Gorentla Venkata, program committee member, 19th IEEE International Conference on Networks.
Manjunath Gorentla Venkata, program committee member, First OpenSHMEM Workshop: Experiences, Implementations and Tools.
Chung-Hsing Hsu serves as a program committee member for the 11th IEEE/IFIP International Conference on Embedded and Ubiquitous Computing (EUC-13).
Chung-Hsing Hsu serves as a program committee member for the First OpenSHMEM Workshop: Experiences, Implementations and Tools.
Tomislav Janjusic, reviewer, Special issue of 'Advances in Computers' on Data Flow versus Control Flow: Creativity, Design, Application, and Education"
Seyong Lee, program committee member, ICPADS 2013
Seyong Lee, external review committee member, ACM PPOPP 2014
Dong Li, external review committee member, ACM PPOPP 2014
Dong Li, program committee member, IEEE international conference on BigData
Dong Li, program committee member, IEEE/IFIP international conference on Embedded and ubiquitous computing
Philip C. Roth, workshop co-organizer, 2013 International Workshop for Data Intensive Scalable Computing Systems (DISCS-2013)
Philip C. Roth, SC13 Birds of a Feather committee chair
Pavel Shamis, reviewer, 19th IEEE International Conference on Networks.
Sarat Sreepathi, Technical reviewer for Journal of Computing in Civil Engineering, Journal of Water and Climate Change and Journal of Environmental Modeling and Software
Miroslav Stoyanov co-organized a mini-symposium (Recent Advances in Numerical Methods for Partial Differential Equations with Random Inputs) at the 2013 SIAM Annual Meeting, San Diego, CA.
Geoffroy Vallee reviewed for the journal IEEE Transactions on Parallel and Distributed Systems
Jeffrey Vetter, organizing committee member, DOE MODSIM Workshop, 2013
Jeffrey Vetter, program committee member, ACM PPOPP 2014
Jeffrey Vetter, program committee member, IEEE HiPC 2013
Clayton Webster organized a mini-symposium (Recent Advances in Numerical Methods for Partial Differential Equations with Random Inputs) at the 2013 SIAM Annual Meeting, San Diego, CA.
Patrick Worley, associate editor, Parallel Computing
David E. Bernholdt, reviewer for Parallel Computing (PARCO)
David E. Bernholdt, reviewer for OLCF Director's Discretion Program
John Cobb served on the Steering committee for the NSF funded workshop "ADVANCED REGIONAL & STATE NETWORKS (ARNS): ENVISIONING THE FUTURE AS CRITICAL PARTNERS IN DATA-DRIVEN SCIENCE"
John Cobb presented one of the abbreviated Keynote talks at the "ADVANCED REGIONAL & STATE NETWORKS (ARNS): ENVISIONING THE FUTURE AS CRITICAL PARTNERS IN DATA-DRIVEN SCIENCE" workshop held at Internet2 in Washington DC April 18-19, 2013. John's talk was titled "Data Driven Science Requires Advanced, Distributed Analysis" and is available on the workshop site at https://www.mcnc.org/sites/default/files/Cobb_ARN2_v02.pdf.
John Cobb has been appointed the the research advisory board of the DMPTool project.
Christian Engelmann, reviewer, Parallel Computing (PARCO)
Christian Engelmann, program committee, 13th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) 2013
Christian Engelmann, program committee, 2nd International Workshop on Fault-Tolerance for HPC at Extreme Scale (FTXS) 2013
Christian Engelmann, program committee, 1st Workshop on Solving Problems with Uncertainties 2013
Kate Evans, mini-symposium organizer, SIAM Southeastern Section, "Computational Strategies for the next generation of global Earth system models," Knoxville, TN, Mar. 22-24, 2013.
Kate Evans, mini-symposium co-organizer, SIAM Computer Science and Engineering, “Implicit Solvers for Earth system Applications,” Boston, MA, Feb. 25-Mar. 1, 2013.
Travis Humble, appointed co-director of the CCSD-sponsored Quantum Computing Institute
Travis Humble, appointed a joint faculty position with the University of Tennessee Bredesen Center.
Travis Humble, invited to contribute an article to the IEEE Communication Society Magazine on Quantum Communication.
Seyong Lee, paper review for International Conference on Supercomputing (ICS)
Dong Li, program committee member for IEEE/ACM International Symposium on Cluster, Cloud, and Grid Computing (CCGrid), 2013
Dong Li, Workshop chair for International Workshop on High-Performance, Power-Aware Computing (HP-PAC), 2013
Dong Li, program committee member for International Supercomputing Conference (ISC), 2013.
Dong Li, program committee member for Power-Aware Computing Track of EUC 2013, the 11th IEEE/IFIP International Conference on Embedded and Ubiquitous Computing
Dong Li, journal paper review for IEEE Transactions on Parallel and Distributed System (TPDS)
Dong Li, journal paper review for Journal of Supercomputing
Dong Li, journal paper review for Cluster Computing
Philip Roth, program committee, International Conference on Supercomputing (ICS) 2013
Philip Roth, program committee, 18th International Workshop on High-Level parallel Programming Models and Supportive Environments (HIPS)
Philip Roth, program committee, Workshop on Large-Scale Parallel Processing (LSPP) 2013
Geoffroy Vallee, program committee, Fourth International Conference on Cloud Computing, GRIDs, and Virtualization 2013
Geoffroy Vallee, program committee, 3rd International Conference on Cloud Computing and Services Science (CLOSER) 2013
Jeffrey Vetter, program committee, ACM Memory System and Performance Conference 2013
Jeffrey Vetter, program committee, IEEE International Parallel and DIstributed Systems Symposium, 2013
Jeffrey Vetter, program committee, ACM GPGPU6 Workshop
On March 22-24, Oak Ridge National Laboratory and the University of Tennessee hosted the 37th annual meeting of the SIAM Southeastern Atlantic Section. The meeting included approximately 160 registered participants, of which roughly 60 were students and 20 were from ORNL. There were 4 plenary talks, 24 mini-symposium sessions, seven contributed sessions, and a poster session. Awards were given to students for Best Paper and Best Poster presentations. Attendees were also given guided tours of the Graphite Reactor, the Spallation Neutron Source, and the National Center for Computational Science. The meeting was organized by Chris Baker (ORNL), Cory Hauck (ORNL), Jillian Trask (UT), Lora Wolfe (ORNL), and Yulong Xing (ORNL/UT).
The CSMD had a strong showing at SIAM-CSE13 with over 25 presentations from staff members from the division. This conference is a leading conference in computer science and mathematics, drawing thousands of researchers from across the globe and supported jointly by NSF and DOE. Division scientist organized eight different mini-symposiums with close to a hundred invited speakers in areas of modern libraries (Christopher Baker), implicit methods for Earth system modeling (Kate Evans), nuclear simulations (Bobby Philip), kinetic theory (Cory Hauck), hybrid architecture linear algebra (Ed D’Azevedo), Resiliency (Jeff Vetter), UQ and stochastic inverse problems (Clayton Webster), and Structural Graph Theory, Sparse Linear Algebra, and Graphical Models (Blair Sullivan).
The semi-annual review for the Durmstrang-2 project was held on March 18-19 in Maryland. Durmstrang-2 is a DoD/ORNL collaboration in extreme scale high performance computing. The long term goal of the project is to support the achievement of sustained exascale processing on applications and architectures of interest to both partners. The Durmstrand-2 project is managed from the Extreme Scale Systems Center (ESSC) of CCSD.
Steve Poole, Chief Scientist of CSMD, presented the overview and general status update at the March review. Benchmarks R&D discussion was facilitated by Josh Lothian, Matthew Baker, Jonathan Schrock, and Sarah Powers of ORNL; Languages and Compilers R&D discussion was facilitated by Matthew Baker, Oscar Hernandez, Pavel Shamis, and Manju Venkata of ORNL; I/O and FileSystems R&D discussion was facilitated by Brad Settlemyer of ORNL; Networking R&D discussion was facilitated by Nagi Rao, Susan Hicks, Paul Newman, and Steve Poole of ORNL; Power Aware Computing R&D discussion was facilitated by Chung-Hsing Shu of ORNL; System Schedulers R&D discussion was facilitated by Greg Koenig and Sarah Powers of ORNL. The topics of discussion during the executive session of the review included continued funding/growth of the program and development of performance metrics for the project.
APS 2013 March Meeting
The American Physical Society (APS) March Meeting is the largest physics meeting in the world, focusing on research from industry, universities, and major labs. Participation in this years’ meeting held in Baltimore, MD (March 18–22, 2013) by staff members of the Computational Chemical and Materials Sciences (CCMS) Group included 24 different talks (bold-face names are from CCMS).
Monojoy Goswami, Bobby G. Sumpter, “Morphology and Dynamics of Ion Containing Polymers using Coarse Grain Molecular Dynamics Simulation,” Talk in Session T32: Charged and Ion Containing Polymers (March 21, 2013) APS National Meeting, Baltimore.
Debapriya Banerjee, Kenneth S. Schweizer, Bobby G. Sumpter, Mark D. Dadmun, “Dispersion of small nanoparticles in random copolymer melts,” Talk in Session F32: Polymer Nanocomposites II (March 19, 2013) APS National Meeting, Baltimore.
Rajeev Kumar, Bobby G. Sumpter, S. Michael Kilbey II, “00003 Charge regulation and local dielectric function in planar polyelectrolyte brushes,” Talk in Session U32: Charged Polymers and Ionic Liquids (March 21, 2013) APS National Meeting, Baltimore.
Alamgir Karim, David Bucknall, Dharmaraj Raghavan, Bobby Sumpter, Scott Sides, “In-situ Neutron Scattering Determination of 3D Phase-Morphology Correlations in Fullerene -Polymer Organic Photovoltaic Thin Films,” Talk in Session Y33: Organic Electronics and Photonics-Morphology and Structure I (March 22, 2013) APS National Meeting, Baltimore.
Geoffrey Rojas, P. Ganesh, Simon Kelly, Bobby G. Sumpter, John Schlueter, Petro Maksymovych,” Molecule/Surface Interactions and the Control of Electronic Structure In Epitaxial Charge Transfer Salts,” Talk in Session U35: Search for New Superconductors III (March 21, 2013) APS National Meeting, Baltimore.
Geoffrey A. Rojas, P. Ganesh, Simon Kelly, Bobby G. Sumpter, John A. Schlueter, Petro Maksymovich, “Density Functional Theory studies of Epitaxial Charge Transfer Salts,” Talk in Session N35: Search for New Superconductors III (March 20, 2013) APS National Meeting, Baltimore.
Arthur P. Baddorf,Qing Li, Chengbo Han, J. Bernholc, Humberto Terrones, Bobby G. Sumpter, Miguel Fuentes-Cabrera, Jieyu Yi, Zheng Gai, Peter Maksymovych, Minghu Pan,” Electron Injection to Control Self-Assembly and Disassembly of Phenylacetylene on Gold,” Talk in Session C33: Organic Electronics and Photonics - Interfaces and Contacts (March 18, 2013) APS National Meeting, Baltimore.
Mina Yoon, Kai Xiao, Kendal W. Clark, An-Ping Li, David Geohegan, Bobby G. Sumpter, Sean Smith, “Understanding the growth of nanoscale organic semiconductors: the role of substrates,” Talk in Session Z33: Organic Electronics and Photonics - Morphology and Structure II (March 22, 2013) APS National Meeting, Baltimore.
Chengbo Han, Wenchang Lu, Jerry Bernholc, Miguel Fuentes-Cabrera, Humberto Terrones, Bobby G. Sumpter, Jieyu Yi, Zheng Gai, Arthur P. Baddorf, Qing Li,. Peter Maksymovych, Minghu Pan, “Computational Study of Phenylacetylene Self-Assembly on Au(111) Surface,” Talk in Session C33: Organic Electronics and Photonics - Interfaces and Contacts (March 18, 2013) APS National Meeting, Baltimore.
Jaron Krogel, Jeongnim Kim, David Ceperley “Prospects for efficient QMC defect calculations: the energy density applied to Ge self-interstitials,” Talk in Session J24: Quantum Many-Body Systems and Methods I (March 19, 2013) APS National Meeting, Baltimore.
Kendal Clark, Xiaoguang Zhang, Ivan Vlassiouk, Guowei He,Gong Gu, Randall Feenstra, An-Ping Li, “Mapping the Electron Transport of Graphene Boundaries Using Scanning Tunneling Potentiometry,” Talk in Session G6: CVD Graphene - Doping and Defects (March 19, 2013) APS National Meeting, Baltimore.
Gregory Brown, Donald M. Nicholson, Markus Eisenbach, Kh. Odbadrakh “Wang-Landau or Statistical Mechanics,” Talk in Session G6: Equilibrium Statistical Mechanics, Followed by GSNP Student Speaker Award (March 18, 2013) APS National Meeting, Baltimore.
Don Nicholson, Kh. Odbadrakh,German Samolyuk, G. Malcolm Stocks,” Calculated magnetic structure of mobile defects in Fe,” Session Y16: Magnetic Theory II (March 22, 2013) APS National Meeting, Baltimore.
Khorgolkhuu Odbadrakh, Don Nicholson, Aurelian Rusanu, German Samolyuk, Yang Wang, Roger Stoller, Xiaoguang Zhang, George Stocks, “Coarse graining approach to First principles modeling of structural materials,” Session A43: Multiscale modeling--Coarse-graining in Space and Time I (March 18, 2013) APS National Meeting, Baltimore.
M. G. Reuter & P. D. Williams, "The Information Content of Conductance Histogram Peaks: Transport Mechanisms, Level Alignments, and Coupling Strengths" Talk in Session R43: Electron Transfer, Charge Transfer and Transport Session, (March 20,2013) APS National Meeting, Baltimore.
Paul R. C. Kent, Panchapakesan Ganesh, Jeongnim Kim, Mina Yoon, Fernando Reboredo, "Binding and Diffusion of Li in Graphite: Quantum Monte Carlo Benchmarks and validation of Van der Waals DFT" Talk in Session A5: Van der Waals Bonding in Advanced Materials – Materials Behavior, (March 18, 2013) APS National Meeting, Baltimore.
Peter Staar, Thomas Maier, Thomas Schulthess, "DCA+: Incorporating self-consistently a continuous momentum self-energy in the Dynamical Cluster Approximation" Talk in Session N24, APS National Meeting,Baltimore.
Thomas Maier, Peter Hirschfeld, Douglas Scalapino, Yan Wang, Andreas Kreisel, "Pairing strength and gap functions in multiband superconductors: 3D effects" Talk in Session G37: Electronic Structute Methods II,(March 20, 2013) APS National Meeting, Baltimore.
Thomas Maier, Yan Wang, Andreas Kreisel, Peter Hirschfeld, Douglas Scalapino, "Spin fluctuation theory of pairing in AFe2As2" Talk in Session G37: Electronic Structure Methods II,(March 20, 2013), APS National Meeting, Baltimore.
Peter Hirschfeld, Andreas Kreisel, Yan Wang, Milan Tomic, Harald Jeschke, Anthony Jacko, Roser Valenti, Thomas Maier, Douglas Scalapino, "Pressure dependence of critical temperature of bulk FeSe from spin fluctuation theory" Talk in Session G37: Electronic Structure Methods II (March 20, 2013), APS National Meeting, Baltimore.
Markus Eisenbach, Junqi Yin, Don M. Nicholson, Ying Wai Li, “First principles calculation of finite temperature magnetism in Ni,” Talk in Session C17: Magnetic Theory I (March 18, 2013), APS National Meeting, Baltimore.
Madhusudan Ojha, Don M. Nicholson, Takeshi Egami, “Ab-initio atomic level stresses in Cu-Zr crystal, liquid and glass phases,” Talk in Session G42: Focus Session: Physics of Glasses and Viscous Liquids I (March 19, 2013), APS National Meeting, Baltimore.
Junqi Yin, Markus Eisenbach, Don Nicholson, “Spin-lattice coupling in BCC iron,” Talk in Session T39: Metals Alloys and Metallic Structures (March 21, 2013), APS National Meeting, Baltimore.
German Samolyuk, Yuri Osetsky, Roger Stoller, Don Nicholson, George Malcolm Stocks, “The modification of core structure and Peierls barrier of 1/2$<111>$ screw dislocation in bcc Fe in presence of Cr solute atoms,” Talk in Session T39: Metals Alloys and Metallic Structures (March 21, 2013), APS National Meeting, Baltimore.
Successful workshop on Big Data and High Performance Computing
hosted by ORNL in Jekyll Island Georgia
SOS is an invitation-only 2 1/2 day meeting held each year by Sandia labs, Oak Ridge National lab, and Swiss Technical institute.
This year it was hosted by ORNL in Jekyll Island Georgia on March 25-28, 2013.
The theme this year was "The intersection of High Performance Computing and Big Data". There were 40 speakers and panelists
from around the world representing views from industry, academia, and national laboratories. The first day focused on the gaps
between big computing and big data and the challenges of turning science data into knowledge. On the second day the talks and panels focused on where HPC and big data intersect and the state of big-data analysis software. The morning of the third day focused on the politics of big data including the issues of data ownership.
Findings of the meeting include the fact that large experimental facilities such as CERNs Large Hadron Collider, and the new
telescopes coming online already generate prodigious amounts of scientific data. The volume and speed that data is generated
requires that the data be analyzed on the fly and only a tiny fraction be kept. The amount kept still amounts to many petabytes.
The attendees stressed how important provenance is to the use of the archived data by other researchers around the world. The majority of today's scientific data is only of value to the original researcher, because the data lacks the meta-data required for others to use it. The talks and panels clearly showed the intersection of high performance computing and big data. They also showed that the converse is not necessarily true, i.e. big data (as defined by Google and Amazon) does not require high performance computing. These vendors and their customers are able to get their work done on large, distributed networks of independent PCs. The meeting was filled with lively discussion, and provocative questions.
For those wanting to know more, the agenda and talks are posted on the SOS17 website: http://www.csm.ornl.gov/workshops/SOS17/