US

### MPS++

None None
The MPS++ computer code simulates models of strongly correlated quantum lattice systems. The algorithm used is the density-matrix renormalization method formulated in the matrix product states language. These models and methods are used to obtain ground state, dynamic, finite temperature and time evolution properties of the underlying materials that are simulated. These materials are usually one- and quasi-one dimensional strongly correlated electronic systems, such as high temperature superconductors, manganites, and other transition metal oxides. This...

### Information Exchange management site

Ryan Clark
Django site used to manage the approved information exchanges (content models) after creation and public comment at https://github.com/usgin-models.

### Omega_h

Daniel Ibanez & Nathan Roberts
Omega_h is a C++11 library that implements tetrahedron and triangle mesh adaptativity, with a focus on scalable HPC performance using (optionally) MPI, OpenMP, or CUDA. It is intended to provided adaptive functionality to existing simulation codes. Mesh adaptivity allows one to minimize both discretization error and number of degrees of freedom live during the simulation, as well as enabling moving object and evolving geometry simulations. Omega_h will do this for you in a way that...

### owsim

Eric H. Neilsen, Jr.
Owsim is a tool for generating minor modifications to the reference results so some types of minor changes in strategy may be evaluated using the same tool (MAF) without the need to produce complete opsim simulations. The specific modification included in the initial version of owsim is for triggered follow-up of transient events, but the tool is general enough to support different kinds of modifications as well.

### ButterflyPACK

Yang Liu
ButterflyPACK is a mathematical software for rapidly solving large-scale dense linear systems that exhibit off-diagonal rank-deficiency properties. These targeted systems are either matrices arising from discretized boundary integral equations, or frontal matrices in multi-frontal solvers for differential equations. ButterflyPACK relies on low-rank and butterfly formats under Hierarchical matrix, HODLR or HSS frameworks to compress, factor/precondition and solve the linear system in quasi-linear time. ButterflyPACK is particularly useful for large-scale ill-conditioned matrices arising from high-frequency wave...

### Exodiff v. 2.09

R. Drake, G. Sjaardema & D. Hensinger
Exodiff compares the results data from two Exodus II files. By defult, a relative difference is used with a tolerance of 1.-6 (about 6 significant digits). The nodal locations are also compared using an absolute difference with a tolerance of 1.e-6. Time step values are compared using a relative difference with a tolerance of 1.e-6 and a floor of 1.e-15. If a third file [diffile.exo] is given, then it is overwritten with the difference of...

### Hybrid Parallel Contour Trees, Version 1.0

Christopher Sewell, Patricia Fasel, Hamish Carr & Gunther Weber
A common operation in scientific visualization is to compute and render a contour of a data set. Given a function of the form f : R^d -> R, a level set is defined as an inverse image f^-1(h) for an isovalue h, and a contour is a single connected component of a level set. The Reeb graph can then be defined to be the result of contracting each contour to a single point, and is...

Sam Sprik & Danny Terlip
The Hydrogen Dispenser Test Apparatus (HDTA) is used to validate hydrogen fueling station performance. This software takes the data generated from HDTA and compares it to fueling standards CSA HGV4.3 and SAE J2601. The software generates plots and metrics for pressure, temperature and IR communications from the HDTA.

### CyPhyTown

None None
A series of software programs that enables students to progress from completely unsecured control of devices to control that protects network commands with authentication, integrity and confidentiality. The working example provided is for turning LED lights on and off on a Raspberry Pi computer.

### pyFEHM

Dylan Harp & David Dempsey
PyFEHM is an open-source Python library that provides classes and methods to support a scripting environment for the subsurface heat and mass transfer, and geomechanics code FEHM. It is inspired by a similar library, PyTOUGH, available for use with the TOUGH2 family of codes.

### Commercial Building Energy Saver, Web App v2.0

Tianzhen Hong, Cynthia Regnier, Mary Ann Piette, Sang Lee, Yixing Chen, Kaiyu Sun & Rongpeng Zhang
The CBES App is a web-based toolkit for use by small businesses and building owners and operators of small and medium size commercial buildings to perform energy benchmarking and retrofit analysis for buildings. The CBES App analyzes the energy performance of user's building for pre- and post-retrofit, in conjunction with user's input data, to identify recommended retrofit measures, energy savings and economic analysis for the selected measures.

### IonControl v. 1.0

Peter Maunz, Jonathan Mizrahi & Josh Goldberg
The IonControl software is a set of python scripts and Field-Programmable-Gate-Array (FPGA) code designed to control a trapped ion research experiment. It enables one to generate the pulses (time resolution: 20ns) necessary to control the quantum states of trapped ions and allows one to collect and analyze measurement results from trapped ion systems.

### WARP

Ryan Bergmann & Kelly Rowland
WARP, which can stand for Weaving All the Random Particles,'' is a three-dimensional (3D) continuous energy Monte Carlo neutron transport code developed at UC Berkeley to efficiently execute on NVIDIA graphics processing unit (GPU) platforms. WARP accelerates Monte Carlo simulations while preserving the benefits of using the Monte Carlo method, namely, that very few physical and geometrical simplifications are applied. WARP is able to calculate multiplication factors, neutron flux distributions (in both space and energy),...

### MiniAero

Micah Ken Franko
MiniAero is an MPl+X proxy app for gas dynamics problems. MiniAero can be used as a representative limited gas dynamics application to assess future computer architectures and programming models

### EPANET-BAM

Siri Khalsa & Cliford Ho
EPANET-BAM 1.0 is an augmented version of EPANET 2.00.10, open-source software distributed by the US Environmental Protection Agency that models flow and contaminant transport through water distribution pipe networks. EPANET-BAM uses a new Bulk advective Mixing (BAM) model to predict concentrations of an aqueous solute at the outlets of cross junctions in a water quality simulation.

### ReteBiome

None None
The software provides a web interface means to upload, generate, analyze, manage and store DNA fragment length polymorphism data. This tool can easily be configured to accommodate other bio data.

### Data-Intensive Memory-Map simulator and runtime

B. Essen
DI-MMAP is a simulator for modeling the performance of next generation non-volatile random access memory technologies (NVRAM) and a high-perfromance memory-map runtime for the Linux operating system. It is implemented as a device driver for the Linux operating system. It will be used by algorithm designers to unserstand the impact of future NVRAM on their algorithms and will be used by application developers for high-performance access to NVRAM storage.

### Framework for Analysis and Visualization of Simulation Data (VizAly)

Joanne Wendelberger, Max Zeyen, Patricia Fasel, James Aherns, Emily Casleton, Jonathan Woodring, Jesus Pulido, Pascal Grosset & David Rogers
As supercomputing resources increase, cosmological scientists are able to run more detailed and larger simulations generating massive amounts of data. Analyzing these simulations with an available open-source toolkit is important for collaborative Department of Energy scientific discovery across labs, universities, and other partners. Developed software as a part of this collection include: comparing data with other existing simulations, verifying and validating results with observation databases, new halo finder algorithms, and using analytical tools to get...

### A Two-Dimensional Thermal-Electrochemical Model for Prismatic Lithium Ion Cells

Shriram Santhanagopalan
The software disclosed implements the thermal and electrochemical laws of conservation in a format that can be readily implemented on to hardware, for interfacing with and controlling lithium ion cells. The model can i) accept a set value for current (or voltage), the initial states within the positive and negative electrodes, the initial cell and ambient temperatures as input, and predict the voltage (or current) under these conditions after a specified duration ii) determine whether...

### Problem Solving Environment for Uncertainty Analysis and Design Exploration

Charles Tong
PSUADE is an software system that is used to study the relationships between the inputs and outputs of general simulation models for the purpose of performing uncertainty and sensitivity analyses on simulation models.

### Turbine Cost Systems Engineering Model

Katherine Dykes & George Scott
turb_costSE is a set of models that link wind turbine component masses (and a few other key variables) to component costs.

### Epetra Linear Algebra Services Package

None None
Epetra provides the fundamental construction routines and service functions that are required for serial and paraliellinear algebra libraries using double precision scalar values and int ordinal values.

### Water Energy Simulation Toolset

Thuy Nguyen & Robert Jeffers
The Water-Energy Simulation Toolset (WEST) is an interactive simulation model that helps visualize impacts of different stakeholders on water quantity and quality of a watershed. The case study is applied for the Snake River Basin with the fictional name Cutthroat River Basin. There are four groups of stakeholders of interest: hydropower, agriculture, flood control, and environmental protection. Currently, the quality component depicts nitrogen-nitrate contaminant. Users can easily interact with the model by changing certain inputs...

### BigData Express

Phil DeMar, Sajith Sasidharan, Qiming Lu, Liang Zhang & Wenji Wu
BigData Express is a high-performance data transfer service for big data. It has several salient features: • BigData Express WebPortal is a distributed web application designed to support BigData Express services and functions. All BDE web portals use a common single-point sign-on service – Cilogon service – to obtain X.509 user certificates for secure access to BDE sites. • BigData Express scheduler co-schedules Data Transfer Node(s), network, and storage resources for data transfer to achieve...

### Build and Execute Environment

Qiang Guan
At exascale, the challenge becomes to develop applications that run at scale and use exascale platforms reliably, efficiently, and flexibly. Workflows become much more complex because they must seamlessly integrate simulation and data analytics. They must include down-sampling, post-processing, feature extraction, and visualization. Power and data transfer limitations require these analysis tasks to be run in-situ or in-transit. We expect successful workflows will comprise multiple linked simulations along with tens of analysis routines. Users will...

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