Presenters and Software

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Sophie Blondel
(CSMD, Computer Science Research)
Xolotl
Xolotl is an open-source, high performance plasma-surface interactions simulator that is currently under development within the DOE's SciDAC program.

Andrew Bennett
(CSMD, Computer Science Research)
VIBE in Eclipse ICE
The integration of the Virtual Integrated Batter Environment (VIBE) into Eclipse ICE provides a user-friendly environment to manage the workflow of battery simulations. ICE's VIBE plugins cover input generation, job-launching, and post-processing capabilities.

Keith Britt
(CSMD, Complex Systems)
PauliD
This software implements quantum computing Pauli gates, most often associated with the circuit model of quantum computing, on a commercial adiabatic model quantum computer. The software illustrates the ease at which D-Wave code can be implemented and the transition between the circuit and adiabatic models.

Stuart Campbell & Peter Peterson
(NDAVD, Scientific Data Analysis)
Mantid
A joint project between STFC RAL, Mantid is data reduction and analysis software for neutron scattering data, written in C++/Python, with a Qt user interface. Additionally, it leverages Paraview for advanced visualization.

Mark Ethan Cantrell
(CSED, Data System Sciences & Engineering)
FACTS
The Facility Analysis and Chemical Tiering System is a business intelligence product designed to help DHS analyze facilities submitting information to their regulatory program.

Christian Cardall
(PD, Theoretical Physics)
GenASiS Basics
Aside from numerical algorithms and problem setup, large-scale physics simulations on distributed-memory supercomputers require more basic utilitarian functionality, such as physical units and constants; display to the screen or standard output device; message passing; I/O to disk; and runtime parameter management and usage statistics. Here we describe and make available Fortran 2003 classes furnishing extensible object-oriented implementations of this sort of rudimentary functionality, along with individual `unit test' programs and larger example problems demonstrating their use. These classes compose the Basics division of our developing astrophysics simulation code GenASiS (General Astrophysical Simulation System), but their fundamental nature makes them useful for physics simulations in many fields.

Jordan Deyton
(CSMD, Computer Science Research)
Embedded Visualizations in Eclipse ICE
The Integrated Computational Environment (ICE) includes a "Visualization Perspective" that can connect to local or remote VisIt installations and display simulation meshes and data. However, this perspective is static in nature and does not support multiple visualization engines. To address this problem, the ICE team recently designed a pluggable visualization service interface whereby developers can provide their own plug-ins to visualize scientific data. Existing infrastructure for VisIt was ported to the visualization service, while new code was developed to support integrating the ParaView toolkit into ICE. These changes will allow developers to embed advanced visualization tools within any ICE plug-in as well as customize existing visualization plug-ins.

Mathieu Doucet
(NDAVD, Scientific Data Analysis)
SNS Web Monitor
The SNS Web Monitor lets facility scientists and users monitor the progress of their experiments and view the results of automated data processing.

Markus Eisenbach
(NCCSD, Scientific Computing)
LSMS
The Linear Scaling Multiple Scattering (LSMS) code is a software package to solve the Schrodinger or Dirac equation for electrons in solids in the Density Functional Theory (DFT) framework, that can be used on computers ranging from desktop machines to HPS supercomputers such as Titan. Unlike most DFT codes that scale cubically LSMS scales linearly in the number of atoms. The main strength of the code lies in first principles materials calculations for magnetic materials and alloys. By combining the code with the Wang-Landau Monte Carlo method, it is possible to use HPC resources to calculate thermodynamic properties such as phase transitions in alloys and magnets from first principles without the need to resort to fitting of model parameters.

Taylor Eisman
(CSMD, Computer Science Research)
Quantum Time Distribution Verilog Code
We developed a field-programmable gate array (FPGA) designed to read incoming data from a quantum communications platform and use this data to regenerate a GPS time stamp for the smart grid.

Christian Engelmann
(CSMD, Computer Science Research)
xSim
The Extreme-scale Simulator (xSim) is a performance investigation toolkit that permits running native HPC applications or proxy applications in a controlled environment with millions of concurrent execution threads, while observing application performance and resilience in a simulated extreme-scale system for hardware/software co-design. Using a lightweight parallel discrete event simulation (PDES), xSim executes a Message Passing Interface (MPI) application on a much smaller system in a highly oversubscribed fashion with a virtual wall clock time, such that performance data can be extracted based on a processor and a network model with an appropriate simulation scalability/accuracy trade-off. xSim is designed like a traditional performance tool, as an interposition library that sits between the MPI application and the MPI library, using the MPI profiling interface. It has been run up to 134,217,728 (2^27) communicating MPI ranks using a 960-core Linux cluster.

Nick Forrginton
(CSMD, Computer Science Research)
Allinea DDT
Allinea's Distributed Debugging Tool is scalable and parallel. From small-scale, multi-threaded programs, to full Titan-scale jobs, DDT allows users to quickly and intuitively inspect and control all processing elements in their program simultaneously. DDT supports various languages and communication models, including C/C++, Fortran, CUDA, OpenMP, OpenACC, MPI, OpenSHMEM, and UPC.

Kasper Gammeltoft
(CSMD, Computer Science Research)
Reflectivity Modeling in Eclipse ICE
This modeling piece of software can be used by those at the SNS and others around the world who deal with Reflectometry to enter their data and fit a model in an elegant and straightforward way.

Alain Giorla
(FMNSD, Light Water Reactor Sustainability)
AMIE
AMIE is a C++ finite-element library designed for multi-scale analysis of concrete durability. The library features several advanced numerical techniques such as extended finite elements and space-time finite elements. Degradation is simulated with a non-local continuum damage algorithm which ensures the path dependence of the damage process, and can naturally be coupled with plasticity or visco-elasticity. It features a powerful microstructure generator able to represent highly complex matrix-inclusion composites with a wide variety of shapes and orientations. Examples of uses include alkali-silica reaction, radiation-induced effects, long-term creep, and early-age shrinkage in an hydrating cement paste.

Erica Grant and Elizabeth Piersall
(CSMD, Computer Science Research)
Analysis Tools in Eclipse ICE for Adiabatic Quantum Computing
We will be presenting a set of analysis tools as part of the Eclipse Integrated Computational Environment (ICE) that takes the data from an adiabatic quantum computer and generates plots, histograms, and other statistical tools relevant to the execution energy spectrum.

Steven Hahn
(NDAVD, Scientific Data Analysis)
SpinWaveGenie
SpinWaveGenie is a C++ software library that simplifies the modeling of collective spin wave excitations, allowing an instrument user to analyze neutron scattering data with sophisticated models faster and more efficiently. Furthermore, one can convolute the four-dimensional scattering function S(Q,E) with the instrumental resolution function and magnetic form factor to directly compare and fit the calculation to experimental measurements. The source code, installation instructions, and usage examples are available at https://github.com/SpinWaveGenie/SpinWaveGenie

Travis Humble
(CSMD, Complex Systems)
QITKAT
The Quantum Information Toolkit for Application Testing is a software-defined quantum communication library that supports experimental demonstrations of novel quantum protocols. The software framework is based on the GNU Radio project and leverages custom-made interfaces for managing quantum optical hardware.

Tomislav Janjusic & Christos Kartsaklis
(CSMD, Computer Science Research)
GlProf
Glprof is a trace profiling tool specifically aimed to lessen the programmer's burden of pinpointing heavily involved data structures during an application's runtime and understanding data structure runtime usage. Glprof is built as an extension to our memory-tracing tool, Gleipnir. Inspired by the widely-used Gprof tool, Glprof aims to be simple to use and to offer a very detailed, data-centric view of memory-related performance metrics back to the user.

Joseph Kennedy
(CSMD, Computational Earth Sciences)
LIVV
The Land Ice Verification and Validation toolkit (LIVV) is a python-based extensible software package that provides robust, automated verification and a performance evaluation of continental-scale, dynamical ice-sheet models on LCF platforms. This involves a comprehensive comparison of model performance relative to expected behavior on a given computing platform. LIVV operates on a set of benchmark and test data, and provides comparisons for a suite of community prioritized tests, including configuration and parameter variations, bit-4-bit evaluation, and plots of tests where differences occur.

Ben Klein
(NCCSD)
Ubuntu Airplay
This open-source project aims to provide near-native performance airplay (including photo, presentation, desktop, audio, and video streaming) to proprietary Airplay Receivers.

Dan Koch
(CSED, Geographic Information Science & Technology)
IMPACT
The Incident Management Preparedness and Coordination Toolkit (IMPACT) is a free all-hazards planning tool for first responders. Possible uses include:
- IED, evacuation, and shooter line-of-sight tabletop exercises
- search and rescue planning
- severe weather monitoring/alerting with geo-fences
- hazard impacts to population using built-in population database
- use in response vehicles for asset tracking/webcam damage surveys
- special event and shelter placement planning
- radio communication placement
- traffic/security web camera monitoring

Anthony Lanzillotta
(CSMD, Complex Systems)
Qubit Encoder
This project takes in a picture or file and reads it into 2 bit codes that are used to control a liquid crystal controller. Software will be used to help encode different bell states.

Ron Lee
(CSED, Data Systems Sciences and Engineering)
HPAC / NFAC
ORNL develops and maintains the Nuclear Facility Accident (NFAC) model in Hazard Prediction and Assessment Capability (HPAC). NFAC models 21 nuclear facility accident scenarios, as well as explicit specifications of radioactive material releases. It also includes a database of the world's nuclear facilities. As an HPAC incident source model (ISM), NFAC uses HPAC's OSGi framework for atmospheric transport and dispersion and effects modeling, capabilities to which ORNL has contributed.

Dmitry Liakh
(NCCSD, Scientific Computing)
ExaTensor

Tensor (or multi-linear) algebra provides the computational basis for quantum many-body theory, in particular for coupled-cluster formalism, which is heavily used in quantum chemistry, atomic, and nuclear physics. The TAL-SH library implements basic tensor algebra operations (a multi-linear analogue of BLAS) for the use on multicore CPU, NVidia GPU, and Intel Xeon Phi. The library will form a lower-level layer in a larger software project ExaTensor, a virtual tensor algebra processor for large-scale heterogeneous HPC systems. It is expected to facilitate an adaptive multiscale description of the electron correlation effects in simulations of the soft matter and large molecular aggregates of interest to nano- and biochemistry.

Megan Lilly
(CSMD, Complex Systems)
CHP
CHP is a highly efficient simulator of stabilizer quantum circuits. It can be used to model very large, entangled systems and some of the most interesting quantum effects, as well as the design of quantum error-correction architectures.

Vickie Lynch
(NDAVD, Scientific Data Analysis)
CAMM Workflow
Center for Accelerating Materials Modeling (CAMM) workflow for Spallation Neutron Source Data enables refinement of model parameters such as force fields and allows researchers to compare model and experimental results in near real time. See camm.ornl.gov for more details.

Benjamin Mayer
(CSMD, Computational Earth Sciences)
Pegasus
Pegasus is a Workflow Management System running on Oak Ridge and other DOE resources that can work with whole terabytes of data, successfully executing on a laptop, campus clusters, grids, and clouds.

Alex McCaskey
(CSMD, Computer Science Research)
MOOSE-Based Application Development, Input Generation, Execution, and Analysis in Eclipse ICE
This software was developed for the Eclipse Integrated Computational Environment to provide a unified interface for interaction with the entire MOOSE workflow: from actual application C++ development and version control, to input generation, simulation execution, and post-simulation data visualization and analysis.

Tom Naughton
(CSMD, Computer Science Research)
STCI
The Scalable RunTime Component Infrastructure (STCI) is a modular component-based library for the implementation of customized run-time systems. The STCI library enables the design and implementation of run-time services that are scalable, resilient and versatile. To illustrate the benefits of such an approach, we present how STCI has been used to provide a basis for supporting the following tools and HPC workloads:
(i) Message Passing Interface (MPI) programming model
(ii) MPI process fault tolerance
(iii) resilience tools
(iv) many-task workflow

George Ostrouchov
(CSMD, Scientific Data)
pbdR
Extends the most diverse and cutting-edge deep analytics capability to large clusters. Powered by the same scalable efficient libraries that are used in simulation science codes but are much easier to use with high-level R scripting and graphics capabilities. See http://r-pbd.org

Suzanne Parete-Koon
(NCCSD, User Assistance & Outreach)
Bellerophon
Bellerophon is a software support system for HPC applications. It handles automated regression testing of developing application codes, near real-time data analysis via data and 2D renderings of data, and tracking and storage of all data files, metadata, and renderings in a database.

Byung Park
(CSMD, Computer Science Research)
RAVEN
RAS data Analysis through Visually Enhanced Navigation is a system-independent tool for analyzing supercomputer log data. RAVEN is configurable through XML files, uses Qt and Qwt to visualize the logs in a friendly format, and has been used on Cray XT5.

Taylor Patterson
(CSMD, Computer Science Research)
Eclipse ICE
This project focuses on improving the quality of Eclipse ICE from the user perspective. We have designed and begun executing software usability testing experiments to gather objective and subjective data to assess the usability of Eclipse ICE versus the conventional tools to which the software seeks to provide an alternative. The eventual analysis of these measures will help to shape further development of Eclipse ICE in an effort to promote more rapid adoption of the product by new users and improve the software's user experience for existing users.

Alex Pawlowski
(ETSD, Fuels, Engines, Emissions, & Research Center)
Interactive 0D Combustion Modeling in R
The scope of this task was to develop a framework for simulating the thermodynamics of engines, with a focus on results that identify key areas of carbon intensity or energy usage reductions. R was chosen mainly because of its growing popularity and modular framework for online interactive apps with Shiny.
Although this software is still in its beta stage, it applies the governing equations of thermodynamics to define and relate the fundamental aspects of engine processes to energy usage. This model will contribute to the qualifier, to describe and evaluate the efficiency limits for various operating parameters of applicable technologies that have been market-proven or researched to be technically and economically viable. A subsequent analysis will assess the practical limits of energy efficiency and carbon reduction within 20 years, as a function of fuel types and operating strategies.

Stephen Pittman
(PD, Experimental Astrophysics)
NMT and nuclearmasses.org
The Nuclear Masses Toolkit is a web-deliverable, cross-platform Java application, which allows Users to remotely access and manipulate a MySQL database of nuclear mass datasets through a secure PHP web service. Freely available at the website nuclearmasses.org, the NMT enables research scientists and non-experts the ability to share, visualize, and analyze nuclear mass information in a robust and intuitive way. In addition to the capabilities offered by the NMT, the nuclearmasses.org website provides the scientific community detailed information and links concerning theoretical and experimental mass datasets. It also creates a mechanism for Users to inform the community of their latest mass models, measurements, and software tools.

Brian Ray
(CSED, Data System Sciences & Engineering)
STARS
The Site Security Plan Triage and Reporting System is an extensible, risk-based decision tool that can easily be adopted to any endeavor attempting to provide quantitative answers to qualitative data.

Bradley Rearden
(RNSD)
SCALE Code System
SCALE is a widely used suite of tools for nuclear systems modeling and simulation that provides comprehensive, verified and validated, user-friendly capabilities for criticality safety, reactor physics, radiation shielding, and sensitivity and uncertainty analysis. Since 1980 regulators, industry, and research institutions around the world have used SCALE for nuclear safety analysis and design. SCALE's framework includes three deterministic and three Monte Carlo radiation transport solvers that are selected based on the desired solution. SCALE includes the latest nuclear data libraries for continuous-energy and multigroup radiation transport as well as activation, depletion, and decay calculations. SCALE's graphical user interfaces assist with accurate system modeling, visualization, and convenient access to desired results.

Nathan Rowe
(NSITD, Safeguards & Security Technology)
SNAPSHOT
The objective of this project is to develop a modern, long-term sustainable Holdup Measurement System (HMS) for supporting in situ nondestructive assay (NDA) measurements of fissionable materials for nuclear criticality safety.

Mariano Ruiz
(RAD, Instrument Data Acquisition and Controls)
Automated Sample Charger
This software controls an automatic sample changer for the SNS Powgen Beam Line.

Roland Schulz
(BD, Center for Molecular Biophysics)
Gromacs
Gromacs is a high-throughput and highly parallel open-source molecular simulation toolkit. Advanced performance and scaling allows modeling of complex bio-molecular interaction and function in a manner directly testable by experiment.

Stuart Slattery
(CSMD, Computational Engineering and Energy Sciences)
DataTransferKit
The DataTransferKit is a library for coupling physics applications in multiphysics simulations.

Christopher R. Smith
(PD, Theoretical Physics)
CINA
The Computational Infrastructure for Nuclear Astrophysics (CINA) is a cloud computing system that enables users the capability to robustly simulate, share, store, analyze, and visualize explosive nucleosynthesis events such as novae, X-ray bursts, and core-collapse supernovae via a web-deliverable, easy-to-use, Java application. Users can also upload, modify, merge, store, and share the complex input data required by these simulations. In addition to the capabilities offered by CINA, the nucastrodata.org website provides the scientific community a comprehensive list of continuously updated, categorized links to all online nuclear astrophysics datasets. It also provides sample investigations using CINA that are appropriate for high school, college, and graduate school students. This system is an example of our robust approach for getting science codes online for researchers to easily setup, run, visualize, and share with colleagues.

Michael Scott Smith
(PD, Experimental Astrophysics)
bigbangonline.org
bigbangonline.org is a cloud computing system that enables users the capability to robustly simulate, share, store, analyze, and visualize the creation of elements in the early Universe. It also allows comparison to observations and the resulting constraints on cosmological parameters. The system is a web-deliverable, easy-to-use, Java application that enables Users to upload, modify, store, and share the complex input data required by these simulations. In addition to the capabilities offered by this tool, the bigbangonline.org website provides the scientific community with detailed information about scientific research into the early Universe. This system is an example of our robust approach for getting science codes online for researchers to easily setup, run, visualize, and share with colleagues.

Robert Smith
(CSMD, Computer Science Research)
3D Modeling in Eclipse ICE
This poster will cover the use of 3D modeling in ICE, utilizing JavaFX for geometry and mesh editing.

Alexandr Sokolov
(Isotope Business Office)
NIDC Online Management Toolkit
A new database-driven website, Isotopes.gov, has been created for the National Isotope Development Center - the sole government source of isotope products for science, medicine, and security. Isotopes.gov hosts the isotope product catalog, allowing interactive exploration of the products, online quotation and order generation, and online order tracking. A complementary software system, the NIDC Online Management Toolkit (OMT) has also been developed enabling staff to modify the catalog, process online orders, and manage online

Miroslav Stoyanov
(CSMD, Computational and Applied Math)
TASMANIAN
The Toolkit for Adaptive Stochastic Modeling And Non-Intrusive ApproximatioN (TASMANIAN) is a collection of algorithms for approximation of multidimensional functions. The methods are based on Stochastic Collocation/Sparse Grids, where the approximation is constructed from an ensemble of independent realizations of the target functions (i.e., samples). See tasmanian.ornl.gov for more details.

Rangan Sukumar
(CSED, Computational Data Analytics)
EAGLE
EAGLE is an algorithmic Graph library for exploratory analysis. Although primarily developed for Cray's Urika, this open source version works on Apache Jena triplestore. We have tested EAGLE to work on desktops, laptops, and cloud services such as Amazon C2. EAGLE can play a critical role in the exploratory analysis of massive heterogeneous graph data (e.g. semantic knowledge graphs). We believe with more support and user feedback, we can create a "MATLAB" for LinkedData.

Arnold Tharrington
(NCCSD, Scientific Computing)
Multilevel Summation Method
The software solves the classical electrostatic interactions for typical point particle biological and and and material systems. It is written in C++ and parallelized for HPC architectures.

John Turner
(CSED, Computational Engineering & Energy Sciences)
VIBE
The Virtual Integrated Battery Environment for CAEBAT is designed to study a coupled battery system, including the electro-chemistry, thermal transport, and structural dynamics.

Geoffroy Vallée
(CSMD, Computer Science Research)
Common Communications Interface
The CCI project is an open-source communication interface that aims to provide a simple and portable API, high-performance, scalability for the largest deployments, and robustness in the presence of faults. Targeted towards high performance computing (HPC) environments as well as large data centers, CCI can provide a common network abstraction layer (NAL) for persistent services as well as general inter-process communication. As a result, CCI is suitable for high performance communication on a local area network (LAN), as well as for the terabit data transfer over dedicated wide area networks (WAN) such as DOE's ESNet infrastructure. Visit http://cci-forum.com/ for more information.‚Äč

Dali Wang
(ESD, Climate Change Science Institute)
Modular Ecosystem Software Design and Virtual Observation System
We will present our product for modular ecosystem model development and a virtual observation system for ACME land model simulation.

Daniel Wilson
(ETSD, Center for Transportation Analysis)
ORNLReady
ORNLReady is an emergency management application that is designed to enable users to maintain situational awareness and coordinate responses in the event of a laboratory emergency. This is accomplished through the use of a GIS platform and using geospatial analysis and tools.

Frank Winkler, Tomislav Janjusic, & Christos Kartsaklis
(CSMD, Computer Science Research)
Memory Measurement and Visualization using Score-P and Vampir
Vampir is a widely successful trace visualization tool for understanding the performance bottlenecks that plague many parallel applications. Recent developments include: 1) the addition of memory tracing features in Score-P and 2) the ability to visualize the memory utilization, using Vampir.