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At least 199 records · Page 11

Development of Real-Time High-Density Pulsar Data Transmission and Processing for Grid Synchronization

Taking advantage of the extreme stability of the pulsar period, it can serve as the timing source for grid synchronization to compensate for the timing drift instigated by the loss of GPS signal. Nevertheless, the real-time transmission and processing of the pulsar data suffer from its high-frequency data rate, varying from megahertz to gigahertz, resulting in reduced computing speed and increased time delay. To mitigate this issue, the hardware and software frameworks are implemented for the high-density pulsar data transmission and processing for grid synchronization in this research. Initially, the high-density pulsar data is transferred using open-source software. The complementary duty cycle timing module is designed to coordinate the operation of the dual-channel high-speed interface and software. Subsequently, the multiple-threading is applied to the receiving, parsing, and splicing pulsar data. Next, the pulsar signal extraction method is implemented based on the polyphase filterbank and time of arrival estimation. Ultimately, real-time performance verification experiments are carried out for different components under two hardware platforms. Finally, the results demonstrate that only 0.482 s is required for processing 4 Gigabyte data through multiple-threading, which is 3.8 times faster than the single thread. The pulsar signal extraction can also be executed within 707 ms for 4.8 seconds of data, thereby indicating that real-time requirements can be met.

24 POWER TRANSMISSION AND DISTRIBUTION↗

SolarPlus-Optimizer v0.1

With the falling costs of solar arrays and battery storage and reduced reliability of the grid due to natural disasters, small-scale local generation and storage resources are beginning to proliferate. However, very few software options exist for integrated control of building loads, batteries and other distributed energy resources. The available software solutions on the market can force customers to adopt one particular ecosystem of products, thus limiting consumer choice, and are often incapable of operating independently of the grid during blackouts. In this software package, we present the "Solar+ Optimizer" (SPO), a control platform that provides demand flexibility, resiliency and reduced utility bills, built using open-source software. SPO employs Model Predictive Control (MPC) to produce real time optimal control strategies for the building loads and the distributed energy resources on site. SPO is designed to be vendor-agnostic, protocol-independent and resilient to loss of wide-area network connectivity. The software was evaluated in a real convenience store in northern California with on-site solar generation, battery storage and control of HVAC and commercial refrigeration loads. Preliminary tests showed price responsiveness of the building and cost savings of more than 10% in energy costs alone.

Prakash, AnandKrishnan↗

Measuring and Simulating T1 and T2 for Qubits

Quantum computers perform computations exploiting quantum mechanics to a possible advantage, allowing us to prepare and manipulate states that do not have a classical equivalent. In particular, phenomena like superposition and entanglement may enable quantum computers to outperform their classical counterparts in certain applications. Implementing these useful quantum algorithms is contingent upon building accurate quantum hardware that is not affected by noise. Environmental noise decreases coherence time of qubits, meaning that qubits do not stay in a desired state long enough to carry out a complex computation. To that end, harnessing the full power of quantum computers necessitate characterization of noise sources and how they impact a given quantum system. Often times, T1and T2 are used to quantify noise. In this project, we provide an approach as to how T1 and T2 values are calculated and simulated for quantum systems. In addition, we compare simulated values of T1 and T2 with those of real quantum computer’s measurements. IBMQ Experience, an open source software allowing users to simulate and use real quantum hardware, is used. QuTip, a Python-based toolbox offering quantum simulation tools for open quantum systems, is also used.

Youssef, Rahaf↗

Sterile neutrinos and the global reactor antineutrino dataset

We present results from global fits to the available reactor antineutrino dataset, as of Fall 2019, to determine the global preference for a fourth, sterile neutrino. We have separately considered experiments that measure the integrated inverse-beta decay (IBD) rate from those that measure the energy spectrum of IBD events at one or more locations. The evidence that we infer from rate measurements varies between ≲ 3σ and negligible depending on the reactor antineutrino flux model employed. Moreover, we find that spectral ratios ostensibly imply ≳ 3σ evidence, consistent with previous work, though these measurements are known to be plagued by issues related to statistical interpretation; these results should therefore be viewed cautiously. The software used is the newly developed GLoBESfit tool set which is based on the publicly available GLoBES framework and will be released as open-source software.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

MS–STEM–FEM: A parallelized multi-slice fluctuation TEM simulation tool

Atomic configurations of glassy or amorphous materials containing medium-range order (MRO) may be identified by comparing fluctuation transmission electron microscopy (FTEM) measurements to FTEM simulations obtained using model configurations. Candidate model sizes have traditionally been much thinner than the samples measured experimentally, and publicly available FTEM simulation software has until now omitted microscope parameters, dynamical scattering, and the phase of the diffracted electron wave. We introduce MS–STEM–FEM, an open-source software package for simulating FTEM experiments using established multi-slice TEM simulation techniques to emulate experiment more closely by incorporating microscope parameters and simulating electron scattering and propagation as a complex valued wave. Simulations using established models are compared with results of experimental STEM–FEM to validate the software. Several statistical measures of diffraction are implemented and their responses to model features are compared. Dynamical scattering is found to be less influential than the variety of crystallite orientations which occur in thicker models. Simulations of variable resolution microscopy confirm that cumulative intensity of the FTEM signal decreases with reduced model MRO and increased coherence volume. In conclusion, advantageous model scaling characteristics and efficient processor performance scaling are demonstrated, along with a study of convergence with respect to pertinent simulation parameters to identify accuracy requirements.

36 MATERIALS SCIENCE↗

NRAP-Open-IAM: Open Wellbore Component (V.2.0)

The Open Wellbore component of NRAP-Open-IAM is applicable to the calculation of Area of Review at a carbon storage site and fast estimation of dense gas dispersion from multiple continuous CO 2 surface leakage sources for risk assessment. The Open Wellbore Component of NRAP-Open-IAM is a lookup table model based on the drift-flux approach. The National Research Assessment Partnership’s second-generation integrated assessment model, NRAP-Open-IAM, is open-source software written in Python for use in performance and quantitative risk assessment of geologic carbon storage (GCS) systems. The look-up table for open well leakage is an updated version the previous model which provides finer resolution of reservoir depth and more accurate fluid properties than the previous open well look-up table, especially in calculating the gas (CO 2 -rich) phase properties. The component model input parameters include the reservoir transmissivity, aquifer transmissivity, brine salinity, well radius, and well top and bottom depths. The reservoir transmissivity and brine salinity were set to values consistent with the reservoir component, and the well top and bottom depths varied with location. The possible outputs from the Open Wellbore component are leakage rates of CO 2 and brine to either an aquifer or atmosphere, depending on the depth of the well top. Several python test scripts are presented that demonstrate that the Open Wellbore component works correctly. Use of the open wellbore model in NRAP-Open-IAM may result in a large CO 2 leakage rates, comparable to the leakage rates of CO 2 blow out.

54 ENVIRONMENTAL SCIENCES↗

MILK : a Python scripting interface to MAUD for automation of Rietveld analysis

Modern diffraction experiments ( e.g. in situ parametric studies) present scientists with many diffraction patterns to analyze. Interactive analyses via graphical user interfaces tend to slow down obtaining quantitative results such as lattice parameters and phase fractions. Furthermore, Rietveld refinement strategies ( i.e. the parameter turn-on-off sequences) tend to be instrument specific or even specific to a given dataset, such that selection of strategies can become a bottleneck for efficient data analysis. Managing multi-histogram datasets such as from multi-bank neutron diffractometers or caked 2D synchrotron data presents additional challenges due to the large number of histogram-specific parameters. To overcome these challenges in the Rietveld software Material Analysis Using Diffraction ( MAUD ), the MAUD Interface Language Kit ( MILK ) is developed along with an updated text batch interface for MAUD . The open-source software MILK is computer-platform independent and is packaged as a Python library that interfaces with MAUD . Using MILK , model selection ( e.g. various texture or peak-broadening models), Rietveld parameter manipulation and distributed parallel batch computing can be performed through a high-level Python interface. A high-level interface enables analysis workflows to be easily programmed, shared and applied to large datasets, and external tools to be integrated with MAUD . Through modification to the MAUD batch interface, plot and data exports have been improved. The resulting hierarchical folders from Rietveld refinements with MILK are compatible with Cinema: Debye–Scherrer , a tool for visualizing and inspecting the results of multi-parameter analyses of large quantities of diffraction data. In this manuscript, the combined Python scripting and visualization capability of MILK is demonstrated with a quantitative texture and phase analysis of data collected at the HIPPO neutron diffractometer.

97 MATHEMATICS AND COMPUTING↗

STPPHAWKES

SAND2024-08541O STTPHAWKES software solution is a Bayesian estimation approach to a Hawkes process model that treats missing data as a latent variable in the estimation. The open-source software will be released to the R CRAN repository and Sandia National Labs’ Github. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Rowe, Stephen↗

Data Analytics for Electrical Distribution Systems with Micro PMUs (GMLC 1.4.9 Technical Report)

This report describes how electrical utilities with residential, industrial, commercial and government customers make decisions using Data Analytics (DA) applications and discusses how OpenFMB was leveraged to share that data among disparate types of devices for DA. OpenFMB is a data standard developed by utilities for distributed communication and control of power system assets. Here we explored how OpenFMB can be used for sharing analytics and what those analytics could be for a set of representative grid devices. A review of DA applications performed by electrical utilities and customers is presented. An overview of how the testbed we used was built and configured is summarized. Several experiments which were carried out to explore the capabilities of OpenFMB alongside other data sharing mechanisms for gathering sensor measurements and sharing analytics is also discussed. And finally a comparison of OpenFMB and LBNL’s SPARK framework is summarized. Today’s electrical utilities focus on monitoring the real-time customer consumptions, offering new real-time tariff models based on customer usage habits (rewards and punishments), providing energy peak during peak load times (plan energy generation and distribution), improving the load management for transformers and power lines, and controlling the energy and grid resources efficiently. On the other hand, the DA applications for residential customers are based on modifying the customer electricity usage habit to save money, making accurate and timely decisions for electrical billing. However, the DA applications for industrial, commercial and government customers focus on creating efficient programs to improve the environmental condition (reducing CO₂ emission), developing better load forecasting for industrial and/or commercial activities. In this project, a testbed was built to explore how the OpenFMB framework can be used to distribute data among various types of representative grid edge devices. Micro PMUs (Phasor Measurement Unit) were used to collect and transmit data to an OpenPDC server alongside relays with a framework configured with a system using OpenFMB to collect and transmit data. The testbed was composed of a physical asset based on a 60 Hz AC radial power system constructed using SI-GRID components. The power system consisted of a 3-phase 14 volts line-to-ground (24 volts line-to-line) power source, three 3-phase line emulators, a programmable resistive load bank, two smart relays, two micro PMUs, and a (SCADA) and Phasor Data Concentrator (PDC) computer. This testbed configuration allowed us to perform breaker operation tests collecting data from the micro PMUs and from the relays’ sensors. During the micro PMU breaker operation tests we collected the measured and estimated fundamental voltages, currents, frequency as well as the total true, reactive and apparent power. The displacement power factor from two micro PMUs located in parallel power lines was also used. The software steps for the implementation of the Synchrophasor system are explained in detail in this report. The setting (1-2-3) and data collection (4-5) phases were performed with a free download open source software. In the setting phase, the micro PMUs were set (1), the data stream for each micro PMU was validated, and the connection and configuration files were created (2). The PDC computer was set using the connection and configuration files of the micro PMUs (3). In the data collection phase, the binary data from the micro PMUs was collected (4), and the binary data files of the micro PMUs was converted to analyze the test results (5). OpenFMB was configured to use protocol translators to read Modbus and transform the reading into the OpenFMB data model to be read for DA applications.Our experiments showed that by leveraging the OpenFMB data model and the micro PMUs together we could obtain better situational awareness of network faults, which in some cases could lead to failures in the system and would be less perceivable otherwise. For example, in one experiment the fundamental RMS current angle, and the fundamental displacement power factor (estimated by the ratio between the measured real and apparent total power) had a disturbance at the micro PMU connected to the beginning of the parallel power line because the breaker was opened without the operators or SCADA system’s knowledge, and no current was available. Based on the breaker state scenarios and micro PMU locations, the DA applications using the current angle and displacement power factor from the micro PMUs should be studied in detail to avoid a non-desired measurement that could affect the decision from the DA. Also, the sample rates for PMU, Relay and micro PMU devices were compared. The DA application improved the control and operation between the electrical utilities and their customers (residential, industrial, transportation, commercial and government). The higher the sample rate, the better the quality of the measurement for DA estimations.

42 ENGINEERING↗

SU-E-T-103: Development and Implementation of Web Based Quality Control Software

Purpose: Historically many radiation medicine programs have maintained their Quality Control (QC) test results in paper records or Microsoft Excel worksheets. Both these approaches represent significant logistical challenges, and are not predisposed to data review and approval. It has been our group's aim to develop and implement web based software designed not just to record and store QC data in a centralized database, but to provide scheduling and data review tools to help manage a radiation therapy clinics Equipment Quality control program. Methods: The software was written in the Python programming language using the Django web framework. In order to promote collaboration and validation from other centres the code was made open source and is freely available to the public via an online source code repository. The code was written to provide a common user interface for data entry, formalize the review and approval process, and offer automated data trending and process control analysis of test results. Results: As of February 2014, our installation of QAtrack+ has 180 tests defined in its database and has collected ∼22 000 test results, all of which have been reviewed and approved by a physicist via QATrack+'s review tools. These results include records for quality control of Elekta accelerators, CT simulators, our brachytherapy programme, TomoTherapy and Cyberknife units. Currently at least 5 other centres are known to be running QAtrack+ clinically, forming the start of an international user community. Conclusion: QAtrack+ has proven to be an effective tool for collecting radiation therapy QC data, allowing for rapid review and trending of data for a wide variety of treatment units. As free and open source software, all source code, documentation and a bug tracker are available to the public at https://bitbucket.org/tohccmedphys/qatrackplus/.

07 ISOTOPE AND RADIATION SOURCES↗

COMBIgor: Data-Analysis Package for Combinatorial Materials Science

Combinatorial experiments involve synthesis of sample libraries with lateral composition gradients requiring spatially-resolved characterization of structure and properties. Here, due to maturation of combinatorial methods and their successful application in many fields, the modern combinatorial laboratory produces diverse and complex data sets requiring advanced analysis and visualization techniques. In order to utilize these large data sets to uncover new knowledge, the combinatorial scientist must engage in data science. For data science tasks, most laboratories adopt common-purpose data management and visualization software. However, processing and cross-correlating data from various measurement tools is no small task for such generic programs. Here we describe COMBIgor, a purpose-built open-source software package written in the commercial Igor Pro environment, designed to offer a systematic approach to loading, storing, processing, and visualizing combinatorial data sets. It includes (1) methods for loading and storing data sets from combinatorial libraries, (2) routines for streamlined data processing, and (3) data analysis and visualization features to construct figures. Most importantly, COMBIgor is designed to be easily customized by a laboratory, group, or individual in order to integrate additional instruments and data-processing algorithms. Utilizing the capabilities of COMBIgor can significantly reduce the burden of data management on the combinatorial scientist.

97 MATHEMATICS AND COMPUTING↗

DAAP (Data Analytics Application Profiling)

The Data Analytics Application Profiling (DAAP) utility is a software program comprised of a library and scripts to provide basic instrumenting of parallel scientific software applications while they are running on an HPC cluster, and transmit this data over a secure connection as individual records to aggregators. When used in conjunction with additional open source software components (Telegraf, FluentD, and RabbitMQ), the data collected by DAAP can be transmitted off-cluster to an analytics system of the user’s choice for further analysis.

Shereda, Charles↗

Center for Scalable Application Development Software (Final Report)

The Center for Scalable Application Development Software (CScADS) was established as a part- nership between Rice University, Argonne National Laboratory, University of California Berkeley, University of Tennessee – Knoxville, and University of Wisconsin – Madison. CScADS pursued an integrated set of activities with the aim of increasing the productivity of DOE computational scientists by catalyzing the development of systems software, libraries, compilers, and tools for leadership computing platforms. Principal Center activities were workshops to engage the research community in the challenges of leadership computing, research and development of open-source software, and work with computational scientists to help them develop codes for leadership computing platforms. This final report summarizes CScADS activities at Rice University in these areas.

97 MATHEMATICS AND COMPUTING↗

Unveiling the microbial realm with VEBA 2.0: a modular bioinformatics suite for end-to-end genome-resolved prokaryotic, (micro)eukaryotic and viral multi-omics from either short- or long-read sequencing

Abstract The microbiome is a complex community of microorganisms, encompassing prokaryotic (bacterial and archaeal), eukaryotic, and viral entities. This microbial ensemble plays a pivotal role in influencing the health and productivity of diverse ecosystems while shaping the web of life. However, many software suites developed to study microbiomes analyze only the prokaryotic community and provide limited to no support for viruses and microeukaryotes. Previously, we introduced the Viral Eukaryotic Bacterial Archaeal (VEBA) open-source software suite to address this critical gap in microbiome research by extending genome-resolved analysis beyond prokaryotes to encompass the understudied realms of eukaryotes and viruses. Here we present VEBA 2.0 with key updates including a comprehensive clustered microeukaryotic protein database, rapid genome/protein-level clustering, bioprospecting, non-coding/organelle gene modeling, genome-resolved taxonomic/pathway profiling, long-read support, and containerization. We demonstrate VEBA’s versatile application through the analysis of diverse case studies including marine water, Siberian permafrost, and white-tailed deer lung tissues with the latter showcasing how to identify integrated viruses. VEBA represents a crucial advancement in microbiome research, offering a powerful and accessible software suite that bridges the gap between genomics and biotechnological solutions.

59 BASIC BIOLOGICAL SCIENCES↗

Agile Software Components and Libraries for Large-Scale Reservoir Simulations

The objective of this project was for Sandia National Laboratories (SNL) and ExxonMobil Research Company (URC) to collaborate on the development and integration of numerical algorithms and software components for the solution of partial differential equations (PDEs) that address the high fidelity simulation of reservoir flows. SNL’s role was to consult and advise URC on the best practices and use of SNL opensource software components as part of URC's work to incorporate these components into their PDE-based URC reservoir simulation code. A desired outcome was for URC to leverage SNL’s open-source software components as within their own codes, rather than to have to develop from scratch those same capabilities themselves, and for SNL to harden and mature those software components based on usage and feedback from URC.

97 MATHEMATICS AND COMPUTING↗

Productive Programming of Distributed Systems with the SHAD C++ Library

High-performance computing (HPC) is often perceived as a matter of making large-scale systems (e.g., clusters) run as fast as possible, regardless the required programming effort. However, the idea of "bringing HPC to the masses" has recently emerged. Inspired by this vision, we have designed SHAD, the Scalable High-performance Algorithms and Data-structures library. SHAD is open source software, written in C++, for C++ developers. Unlike other HPC libraries for distributed systems, which rely on SPMD models, SHAD adopts a shared-memory programming abstraction, to make C++ programmers feel at home. Underneath, SHAD manages tasking and data-movements, moving the computation where data resides and taking advantage of asynchrony to tolerate network latency. At the bottom of his stack, SHAD can interface with multiple runtime systems: this not only improves developer’s productivity, by hiding the complexity of such software and of the underlying hardware, but also greatly enhance code portability. Thanks to its abstraction layers, SHAD can indeed target different systems, ranging from laptops to HPC clusters, without any need for modifying the user-level code. We have prototyped and open-sourced the implementation of (a subset of) the C++ standard library (STL) targeting multi-node HPC clusters. Our work allows plain STL-based C++ code to scale on HPC systems, with no need for rewriting the code to exploit the complex hardware. SHAD is available under Apache v2 License at https://github.com/pnnl/SHAD. In this paper we overview the design of the SHAD library, depicting its main components: runtime systems abstractions for tasking; parallel and distributed data-structures; STL-compliant interfaces and algorithms.

Castellana, Vito G.↗

R&D to Market Success: BTO-Supported Technologies Commercialized from 2010-2015

Technology commercialization plays an essential role in almost every facet of the U.S. economy. It spurs private sector funding that supports innovative breakthroughs, drives growth through increased productivity and product development, increases American competitiveness, and creates domestic jobs. The BTO Technology Commercialization report is an annual publication offering the latest information on successfully commercialized technologies resulting in part from BTO’s research partnerships. This report defines a “commercialized technology” as a process, technique, design, machine, tool, material, or software that was developed with funds provided at least in part by BTO, and that has resulted in domestic sales or is in use in the U.S. This definition also applies to open-source software products developed with support from BTO, all of which are currently distributed freely but are actively used for commercial purposes.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Bringing OpenCL to Commodity RISC-V CPUs

The importance of open-source hardware has been increasing in recent years with the introduction of the RISC-V Open ISA. This has also accelerated the push for support of the open-source software stack from compiler tools to full-blown operating systems. Parallel computing with today’s Application Programming Interfaces such as OpenCL has proven to be effective at leveraging the parallelism in commodity multi-core processors and programmable parallel accelerators. However, to the best of our knowledge, there is currently no publicly available implementation of OpenCL targeting commodity RISC-V processors that is accessible to the open-source community. Besides opening RISC-V to the existing rich variety of scientific parallel applications, OpenCL also provides access to a unique genre of benchmarks useful in computer architecture research. In this work, we extended an Open-source implementation of OpenCL to target RISC-V CPUs. Our work not only cover commodity multi-core RISC-V processors, but also plethora of low- profile embedded RISC-V CPUs that often do not support atomic instructions or multi-threading.

Tine, Blaise↗