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DOE OSTI2015

Evolution of CMS Workload Management Towards Multicore Job Support

The successful exploitation of multicore processor architectures is a key element of the LHC distributed computing system in the coming era of the LHC Run 2. High-pileup complex-collision events represent a challenge for the traditional sequential programming in terms of memory and processing time budget. The CMS data production and processing framework is introducing the parallel execution of the reconstruction and simulation algorithms to overcome these limitations. CMS plans to execute multicore jobs while still supporting singlecore processing for other tasks difficult to parallelize, such as user analysis. The CMS strategy for job management thus aims at integrating single and multicore job scheduling across the Grid. This is accomplished by employing multicore pilots with internal dynamic partitioning of the allocated resources, capable of running payloads of various core counts simultaneously. An extensive test programme has been conducted to enable multicore scheduling with the various local batch systems available at CMS sites, with the focus on the Tier-0 and Tier-1s, responsible during 2015 of the prompt data reconstruction. Scale tests have been run to analyse the performance of this scheduling strategy and ensure an efficient use of the distributed resources. This paper presents the evolution of the CMS job management and resource provisioning systems in order to support this hybrid scheduling model, as well as its deployment and performance tests, which will enable CMS to transition to a multicore production model for the second LHC run.

Perez-Calero Yzquierdo, A.↗

DOE OSTI2021

GENESPACE R Package (GENESPACE) v1.0

In short, the GENESPACE pipeline conducts analysis of orthology networks, constrained within syntenic regions. Since analyses are limited to local tests conducted within syntenic blocks, GENESPACE is agnostic to ploidy, duplicated regions, inversions or other whole-genome chromosomal complexities that are common across many evolutionary lineages. This advantage allows for evolutionary tests in polyploids (e.g. switchgrass, manuscript in review), species with ancient, but retained whole-genome duplications (e.g. pecan, manuscript in prep), high levels of tandem array proliferation (e.g. eukalypts, manuscript in review) and many other factors that can confound comparative genomic analyses. The major advances of GENESPACE are three-fold: First, this is the first R package to integrate visualization and analysis of large-scale comparative genomics. R, which offers a high-level environment for graphical and statistical exploration of data, is often speed- and memory-limited and not used for computationally intensive tasks such as comparative genomics. The highly efficient C++ scripts used in GENESPACE (via data.table) permit a much faster and computationally lightweight implementation of comparative genomics than is currently available. Second, the pipeline itself is novel. To the best of our knowledge, no other program accomplishes synteny-constrained and ploidy-agnostic comparative genomics. Since nearly all plants and many animals have a history of whole-genome duplications, this is a major and necessary advance to the field. Third, GENESPACE offers high-level and intuitive multi-genome graphical outputs. The dotplots and 'riparian' plots produced herein, which are produced entirely through original R code, are publication-ready and easily customizable.

Schmutz, Jeremy↗

DOE OSTI2017

Advanced Technology and Mitigation (ATDM) SPARC Re-Entry Code Fiscal Year 2017 Progress and Accomplishments for ECP.

The SPARC (Sandia Parallel Aerodynamics and Reentry Code) will provide nuclear weapon qualification evidence for the random vibration and thermal environments created by re-entry of a warhead into the earth’s atmosphere. SPARC incorporates the innovative approaches of ATDM projects on several fronts including: effective harnessing of heterogeneous compute nodes using Kokkos, exascale-ready parallel scalability through asynchronous multi-tasking, uncertainty quantification through Sacado integration, implementation of state-of-the-art reentry physics and multiscale models, use of advanced verification and validation methods, and enabling of improved workflows for users. SPARC is being developed primarily for the Department of Energy nuclear weapon program, with additional development and use of the code is being supported by the Department of Defense for conventional weapons programs.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2018

DARMA-Kokkos Data and Execution Interoperability WBS 2.3.1.04 Milestone 16 (ECP Milestone Report)

DARMA (Distributed Asynchronous Resilient Models for Applications) is a runtime library supporting the Sandia ATDM (Advanced Technology Development and Mitigation) program. The main application drivers fall within the ECP milestone 2.2.5.03 ADNN03-ASC ATDM SNL Application, which includes applications that require load balancing and asynchronous communication for high performance. The DARMA runtime infrastructure has been modified to be compatible with Kokkos/OpenMP parallelization within tasks, which is a critical requirement for high performance for the Sandia ATDM apps. DARMA development has occurred in parallel with a verification milestone for ATDM in FY18. For FY19, DARMA should impact ATDM by enabling dynamic load balancing and communication through only incremental changes to the existing verified MPI codes. DARMA can now support the intra-kernel thread parallelization in the parent MPI apps, allowing DARMA to be easily added without rewriting individual math kernels. The results presented here demonstrate the DARMA results for an MPI mini-app.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

ASCR Workshop on In Situ Data Management: Enabling Scientific Discovery from Diverse Data Sources

In January 2019, the U.S. Department of Energy, Office of Science program in Advanced Scientific Computing Research, convened a workshop to identify priority research directions for in situ data management (ISDM). The workshop defined ISDM as the practices, capabilities, and procedures to control the organization of data and enable the coordination and communication among heterogeneous tasks, executing simultaneously in a high-performance computing system, cooperating toward a common objective. The workshop revealed two primary, interdependent motivations for processing and managing data in situ. The first motivation is that the in situ methodology enables scientific discovery from a broad range of data sources over a wide scale of computing platforms: leadership-class systems, clusters, clouds, workstations, and embedded devices at the edge. The successful development of ISDM capabilities will benefit real-time decision-making, design optimization, and data-driven scientific discovery. The second motivation is the need to decrease data volumes. ISDM can make critical contributions to managing large data volumes from computations and experiments to minimize data movement, save storage space, and boost resource efficiency, often while simultaneously increasing scientific precision. A fundamental finding of this workshop is that the methodologies used to manage data among a variety of tasks in situ can be used to facilitate scientific discovery from many different data sources—simulation, experiment, and sensors, for example—and that being able to do so at numerous computing scales will benefit real-time decision-making, design optimization, and data-driven scientific discovery across the Office of Science mission space. Applications wanting to use the in situ capabilities include those where data analysis feeds back to the simulation, decisions are made autonomously, big data or machine learning is among the tasks to be coordinated, and computations need to be completed in real time. The workshop identified six priority research directions that highlight the components and capabilities needed for ISDM to be successful for the wide variety of applications discussed: making ISDM capabilities more pervasive, controllable, composable, and transparent, with a focus on greater coordination with the software stack and a diversity of fundamentally new data algorithms.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

ASCR Workshop on In Situ Data Management

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2023

Optimizing Alabama’s CO 2 Storage in Shelby County (Project OASIS) Milestone 3.4 Report: Complete Well Design and Drilling Plan

We are pleased to present the following materials, which serve as confirmation of the successful completion of Task 3.4 Complete Well Design and Drilling Plan Milestone, in accordance with the Project OASIS Project Management Plan. More specifically, the following provides confirmation of a team-wide call that was held on September 25, 2023, to discuss the CarbonSAFE Phase II drilling program, the well drilling prognosis, and an overview of risks associated with the program by category as well as probability and impact. A comprehensive Site-Specific Drilling Report will be provided to DOE-NETL 30 days after completion of drilling activities.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2017

A business case for nuclear plant control room modernization - 352

This paper presents a generic business case for implementation of technology that supports Control Room Modernization (CRM) in existing nuclear power plants (NPPs). The business case is based on advanced digital instrumentation and control (I and C), human-system interface (HSI), and work process technologies that allow NPP operators to conduct control room operations with improved human factors and efficiency, and therefore operate with fewer operational events. Labor savings can be harvested in terms of reduced overtime and redistribution of work. Significant savings are also demonstrated as reduced time to bring the plant back on line after completion of outages. The benefits are quantified to a rough order of magnitude, providing directional guidance to NPPs that are interested in developing similar business cases. The technologies employed in CRM include large overview displays, task-based operator displays, computer-based procedures, advanced alarm systems, computerized operator support systems, and wireless networks, among others. The CRM business case is founded on the following categories of cost savings: - Integrated Computer-Based Procedures for Operators; - Reduction in Corrective Action Program Work Due to Operator Error; - Reduction in Outage Critical Path Time; - Operation of Local Control Panels; - Reduction in Control Room Support; - Reduction in Plant Events Resulting in Generation Loss; - Paperless Control Room Processes. In addition to cost savings, these technologies also offer improvements to indirect ways that have impact on key performance indicators of the plant. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

The Design, Fabrication, and Test Program for NREL's Wave-Powered Desalination System: Preprint

Starting in 2018, the U.S. Department of Energy's Water Power Technologies Office (WPTO), initiated the development of a prize competition as a foundational investment of Powering the Blue Economy, The prize encouraged the development of small, modular, cost-competitive wave-powered desalination systems. The National Renewable Energy Laboratory (NREL) was tasked with managing the prize, known as the Waves to Water Prize (W2W), and providing technical input based on prior desalination research performed at the lab. NREL partnered with the Coastal Studies Institute (CSI) and Jennette's Pier in North Carolina for their expertise in deploying research articles at the Jennette's Pier research facility. The prize consisted of five stages that included high-level concept proposals, numerical modelling, site- specific design, subsystem prototyping, and a final ocean demonstration. Due to the logistical risks of installing numerous prototypes in the ocean at the same time, NREL was tasked with designing and building a test article to de- risk the final event. The test article design needed to represent the technologies expected in the final stage of the prize. This meant that the design was expected to follow the same rules as the competitors, providing CSI with an opportunity to practice installations and develop a final logistics plan prior to the final event. After concluding the W2W event in April 2022, the NREL test article was redeployed in August 2022 to better understand the challenges of anchoring wave energy converters (WECs) in shallow water conditions with breaking waves. For the Spanish version of this report, see NREL/CP-5700-88482 (https://www.nrel.gov/docs/fy24osti/88482.pdf).

deployment↗

DOE OSTI2025

Análisis de Tareas del Auditor Energético [Energy Auditor Job Task Analysis (Spanish Translation)]

El Laboratorio Nacional de Energía Renovable (NREL), bajo el contrato con el Programa de Asistencia para la Climatización (WAP) del Departamento de Energía de EE.UU. (DOE), desarrolla y mantiene los recursos en el marco del proyecto Directrices para Profesionales de la Energía Doméstica (GHEP). El objetivo del proyecto GHEP es aumentar la calidad del trabajo de remodelación energética residencial realizado por WAP y otros programas de remodelación residencial en Estados Unidos. Para cumplir el objetivo de “Establecer certificaciones nacionales de la mano de obra y normas de formación”, el DOE encargó al NREL el desarrollo de recursos GHEP, incluido un conjunto de certificaciones avanzadas, basadas en aptitud, para el personal de los profesionales de la energía doméstica (HEP). Desde 2010, el NREL ha reclutado voluntarios expertos en la materia de WAP y de la industria del mantenimiento del hogar para que formen parte de comités que desarrollen y actualicen programas de certificación y sus análisis de tareas (JTA) necesarios como base de programas de certificación y formación estandarizados. Las certificaciones HEP apoyan al WAP y al sector del mantenimiento de viviendas residenciales en general mediante el proceso de acreditación y el desarrollo de JTA definidos para auditores energéticos (EA) e inspectores de control de calidad (QCI). Este informe es un resumen de las actualizaciones más recientes (2022) del JTA del EA. [The National Renewable Energy Laboratory (NREL) is contracted by the U.S. Department of Energy (DOE) Weatherization Assistance Program (WAP) to develop and maintain the resources under the Guidelines for Home Energy Professionals (GHEP) project. The purpose of the GHEP project is to increase the quality of work conducted for residential energy retrofits in the United States through the WAP network and other residential retrofit programs. This is the Spanish translation of NREL/TP-7A40-85300.]

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2018

DOE/DOT Crude Oil Characterization Research Study, Task 2 Test Report on Evaluating Crude Oil Sampling and Analysis Methods, Revision 1 - Winter Sampling

The Crude Oil Characterization Research Study is designed to evaluate whether crude oils currently transported in North America, including those produced from “tight” formations, exhibit physical or chemical properties that are distinct from conventional crudes, and how these properties associate with combustion hazards that may be realized during transportation and handling. The current report presents results from Task 2, investigating which commercially available methods can accurately and reproducibly collect and analyze crude oils for vapor pressure and composition, including dissolved gases. This issue, Revision 1 – Winter Sampling, incorporates additional seasonal data and compositional analysis results that have become available since publication of a prior report, SAND2017-12482, released in December 2017. Both reports compare performance of commercially available methods to that of a well-established mobile laboratory system that currently serves as the baseline instrument system for the U.S. Strategic Petroleum Reserve Crude Oil Vapor Pressure Program. The experimental matrix evaluates the performance of selected methods for (i) capturing, transporting, and delivering hydrocarbon fluid samples from the field to the analysis laboratory, coupled with (ii) analyzing for properties related to composition and volatility of the oil, including vapor pressure, gas-oil ratio, and dissolved gases and light hydrocarbons. Several combinations of sample capture and analysis were observed to perform well in both summer and winter sampling environments, though conditions apply that need to be considered carefully for given applications. Methods that perform well from Task 2 will then be utilized in subsequent Task 3 (combustion studies) and Task 4 (compositional analyses of multiple crude types), to be addressed in subsequent reports.

02 PETROLEUM↗

DOE OSTI2016

Automated Work Package: Conceptual Design and Data Architecture

The automated work package (AWP) is one of the U.S. Department of Energy’s (DOE) Light Water Reactor Sustainability Program efforts to enhance the safety and economics of the nuclear power industry. An AWP is an adaptive and interactive work package that intelligently drives the work process according to the plant condition, resources status, and users progress. The AWP aims to automate several manual tasks of the work process to enhance human performance and reduce human errors. Electronic work packages (eWPs), studied by the Electric Power Research Institute (EPRI), are work packages that rely to various extent on electronic data processing and presentation. AWPs are the future of eWPs. They are envisioned to incorporate the advanced technologies of the future, and thus address the unresolved deficiencies associated with the eWPs in a nuclear power plant. In order to define the AWP, it is necessary to develop an ideal envisioned scenario of the future work process without any current technology restriction. The approach followed to develop this scenario is specific to every stage of the work process execution. The scenario development resulted in fifty advanced functionalities that can be part of the AWP. To rank the importance of these functionalities, a survey was conducted involving several U.S. nuclear utilities. The survey aimed at determining the current need of the nuclear industry with respect to the current work process, i.e. what the industry is satisfied with, and where the industry envisions potential for improvement. The survey evaluated the most promising functionalities resulting from the scenario development. The results demonstrated a significant desire to adopt the majority of these functionalities. The results of the survey are expected to drive the Idaho National Laboratory (INL) AWP research and development (R&D). In order to facilitate this mission, a prototype AWP is needed. Since the vast majority of earlier efforts focused on the frontend aspects of the AWP, the backend data architecture was researched and developed in this effort. The backend design involved data architecture aspects. It was realized through this effort that the key aspects of this design are hierarchy, data configuration and live information, data templates and instances, the flow of work package execution, the introduction of properties, and the means to interface the backend to the frontend. After the backend design was developed, a data structure was built to reflect the developed data architecture. The data structure was developed to accommodate the fifty functionalities identified by the envisioned scenario development. The data structure was evaluated by incorporating an example work order from the nuclear power industry. The implementation resulted in several optimization iterations of the data structure. In addition, the rearrangement of the work order information to fit the data structure highlighted several possibilities for improvement in the current work order design, and significantly reduced the size of the work order.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2015

Evaluation of an LED Retrofit Project at Princeton University's Carl Icahn Laboratory

At Princeton University’s Carl Icahn Laboratory, DOE’s Commercial Buildings Integration Program documented the implementation of LED retrofit products for recessed troffers, linear cove lighting, and downlights – as part of Princeton’s first building-wide interior LED project. The conversion to LED enables more extensive use of lighting controls to tailor the lighting to the task and limit the operating hours based on occupancy, and the estimated energy savings including controls is 62% compared to the incumbent system.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

Minimal Energy Routing of a Leader and a Wingmate with Periodic Connectivity

We consider a route planning problem in which two unmanned vehicles are required to complete a set of tasks present at distinct locations, referred to as targets, with minimum energy consumption. The mission environment is hazardous, and to ensure a safe operation, the UVs are required to communicate with each other at every target they visit. The problem objective is to determine the allocation of the tasks to the UVs and plan tours for the UVs to visit the targets such that the weighted sum of the distances traveled by the UVs and the distances traveled by the communicating signals between them is minimized. We formulate this problem as an Integer program and show that naively solving the problem using commercially available off-the-shelf solvers is insufficient in determining scalable solutions efficiently. To address this computational challenge, we develop an approximation and a heuristic algorithm, and employ them to compute high-quality solutions to a special case of the problem where equal weights are assigned to the distances traveled by the vehicles and the communicating signals. For this special case, we show that the approximation algorithm has a fixed approximation ratio of 3.75. We also develop lower bounds to the optimal cost of the problem to evaluate the performance of these algorithms on large-scale instances. We demonstrate the performance of these algorithms on 500 randomly generated instances with the number of targets ranging from 6 to 100, and show that the algorithms provide high-quality solutions to the problem swiftly; the average computation time of the algorithmic solutions is within a fraction of a second for instances with at most 100 targets. Finally, we show that the approximation ratio has a variable ratio for the weighted case of the problem. Specifically, if ρ denotes the ratio of the weights assigned to the distances representing the communication and travel costs, the algorithm has an a posteriori ratio of $3 + \frac{3ρ}{4}$ when ρ ≥ 1, and $\frac{3}{ρ}$ + $\frac{3}{4}$ when ρ ≤ 1.

42 ENGINEERING↗

DOE OSTI2026

Geology of the One Earth Energy Site

The One Earth Energy site is one of two sites in the Illinois Storage Corridor (ISC) project. The objectives of the ISC project is to accelerate commercial deployment of carbon capture utilization and storage at two individual sites and receive approvals for Underground Injection Control (UIC) Class VI permits for construction at each site. At the One Earth Energy site, an extensive data collection program was undertaken, which included the drilling of a test well (One Earth Energy #1 [OEE #1]), four 2D seismic lines, and a small 3D seismic survey. The OEE #1 well was drilled in 2022 and acquired extensive core, log, and testing data to characterize the subsurface geology of the site. Coring was focused on the storage interval, the Mt. Simon Sandstone, and the confining interval, the Eau Claire Formation. The core and log data were used to evaluate the sedimentology and sequence stratigraphy, as well as to develop the conceptual geologic model. This report includes the geological summaries of the Mt. Simon Sandstone and the Eau Claire Formation. The extensive analysis of the log data is included in the petrophysical section, showing ranges of porosity, estimated pore size, and the mineral content of selected zones in the well. The separate petrographic technical report entitled “Petrographic and Advanced Geologic Characterization Report on One Earth Energy #1 (API# 1211325373)”, report number DOE-UIUC-0031892-04, details thin section point-counting analysis that includes mineralogical and pore space analysis, including grain size analysis, annotated thin section photomicrographs, scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDS), and statistics of grain size analysis on Mt. Simon thin sections from OEE #1. The final OEE #1 well data to be included in this geology report is the routine core analysis of both whole core plugs and rotary sidewall core plugs. In addition to the OEE #1 well, four 2D seismic lines and a small 3D survey were acquired as part of the overall subsurface geological characterization. This geology report references the seismic interpretation report, entitled “One Earth Energy Site Seismic Interpretation Task 5.0”, report number DOE-UIUC-0031892-07. This report details the stratigraphic and structural interpretation of the 2D and 3D seismic data acquired at the One Earth Energy site. The 2D seismic data was acquired in 2019 and 2021, and the 3D survey was acquired in 2022. The objectives of the seismic programs were to contribute to the subsurface characterization of the Mt. Simon-Eau Claire Storage Complex by evaluating the continuity of potential storage reservoirs and containment intervals across the project area, and to determine if any geologic features are present that would increase containment risk to the proposed carbon storage project.

09 BIOMASS FUELS↗

DOE OSTI2020

Repurposing a microfluidic formulation device for automated DNA construction

Microfluidic applications have expanded greatly over the past decade. For the most part, however, each microfluidics platform is developed with a specific task in mind, rather than as a general-purpose device with a wide-range of functionality. Here, we show how a microfluidic system, originally developed to investigate protein phase behavior, can be modified and repurposed for another application, namely DNA construction. We added new programable controllers to direct the flow of reagents across the chip. We designed the assembly of a combinatorial Golden Gate DNA library using TeselaGen DESIGN software and used the repurposed microfluidics platform to assemble the designed library from off-chip prepared DNA assembly pieces. Further experiments verified the sequences and function of the on-chip assembled DNA constructs.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

ASCR Workshop on In Situ Data Management: Enabling Scientific Discovery from Diverse Data Sources [Brochure]

In January 2019, the U.S. Department of Energy (DOE), Office of Science (SC) program in Advanced Scientific Computing Research (ASCR) convened a workshop to identify priority research directions (PRDs) for In Situ Data Management (ISDM). The workshop defined ISDM as the practices, capabilities, and procedures to control the organization of data and enable the coordination and communication among heterogeneous tasks, executing simultaneously in a high-performance computing (HPC) system, cooperating toward a common objective.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2016

Bond Strength of Plasma Sprayed Zr Diffusion Barrier on U-Mo Fuels

The United States government is continually committed to strengthening nuclear security and nonproliferation for reducing the threat of radioactive materials acquisition by terrorists. To meet this important mission, the US Department of Energy and National Nuclear Security Agency's (NNSA) Office of Material Management and Minimization (M{sup 3}) Reactor Conversion Program (CONVERT) seeks to minimize the use of highly enriched uranium (HEU) in civilian applications through work with governments and facilities around the world to convert research reactors to the use of non-weapons-usable low enriched uranium (LEU) fuels. Each reactor converted not only eliminates the need for HEU at civilian sites, but also reduces the amount of HEU being manufactured, stored, and transported, where the nuclear material is most vulnerable. In instances where suitable LEU fuels do not exist for the conversion of particular reactors, CONVERT contributes to development of new LEU fuels. Currently, the CONVERT Program is committed to development of a high-density U-Mo fuel that will be able to convert high performance research reactors, while establishing an efficient and economic fabrication capability to manufacture the fuel. To that end, Los Alamos National Laboratory (LANL) has been tasked with development of a method to affix zirconium (Zr) metal fuel diffusion barrier via plasma spraying, which will prevent a reaction between the U-Mo fuel and the 6061 aluminum cladding. A successful diffusion barrier requires adequate Zr layer thickness, uniform coverage, sufficient bonding at the Zr/fuel and Zr/aluminum cladding interface, and maintenance of the original nuclear fuel properties i.e. physical dimensions, alloy composition and dispersion, crystallographic phase concentration, neutronics, etc. This work outlines development of the Zr plasma spray processing techniques, parameters affecting the diffusion barrier/nuclear fuel bond strength, and characterization of the Zr diffusion barrier. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗