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DOE OSTI2022

INTERSECT Architecture Specification: Microservice Architecture (V.0.5)

Oak Ridge National Laboratory (ORNL)’s Self-driven Experiments for Science / Interconnected Science Ecosystem (INTERSECT) architecture project, titled “An Open Federated Architecture for the Laboratory of the Future”, creates an open federated hardware/software architecture for the laboratory of the future using a novel system of systems (SoS) and microservice architecture approach, connecting scientific instruments, robot-controlled laboratories and edge/center computing/data resources to enable autonomous experiments, “self-driving” laboratories, smart manufacturing, and artificial intelligence (AI)-driven design, discovery and evaluation. The project describes science use cases as design patterns that identify and abstract the involved hardware/software components and their interactions in terms of control, work and data flow. It creates a SoS architecture of the federated hardware/software ecosystem that clarifies terms, architectural elements, the interactions between them and compliance. It further designs a federated microservice architecture, mapping science use case design patterns to the SoS architecture with loosely coupled microservices, standardized interfaces and multi programming language support. The primary deliverable of this project is an INTERSECT Open Architecture Specification, containing the science use case design pattern catalog, the federated SoS architecture specification and the microservice architecture specification. This document represents the microservice architecture specification of the INTERSECT Open Architecture Specification.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

INTERSECT Architecture Specification: Microservice Architecture (V.0.9)

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

300_underground robot (final research report)

Recent advancements in mobile robotics have displayed impressive capabilities in traversing and accessing areas that are inaccessible to humans either due to the characteristics of the environment or potential hazards. Furthermore, these advancements within the field of mobile robotics, more specifically uncrewed ground vehicles (UGVs), give the ability to potentially survey, observe, and map these inaccessible areas for humans. However, one of the most challenging areas to implement this technology is underground environments. The main challenge with implementing this technology in underground environments is the dependence on either GPS or RF communication for UGVs to navigate properly. Therefore, in order to properly demonstrate the mapping capabilities of the UGV this challenge must be resolved. The overall goal of this study is to demonstrate the mapping capabilities of a UGV while addressing this challenge and documenting the implementation and testing phase of the robot. The proposed solution to this challenge is to implement a SLAM algorithm onto the main computational device of the UGV utilizing the Robot Operating System (ROS). The algorithm is the open-source software package Slam Toolbox developed by Steve Macenski. Furthermore, the sllidar_ros2 package from Slamtec will be used to gather the lidar data from an A3M1 2D lidar. A separate program will be created to gather odometry information for our UGV robot. All of these software packages will run together in a Docker environment. Through working on this project I have developed a better understanding of the world of robotics/autonomous systems, especially with applications such as navigation and mapping. Furthermore, through this project, I have been given exposure to how research is conducted within a DOE lab setting. As robotics/autonomous systems become more advanced it's important to pursue more avenues of research such as this project as it will ensure the development of our capabilities.

42 ENGINEERING↗

DOE OSTI2019

Hardware Evaluation Outreach: Application development Challenges Now and for the Exascale Era

The intent of this document is to assist the programmer in understanding details of contemporary and Exascale hardware system design and how these designs provide opportunities and place constraints on next-generation simulation software design. We attempt to clarify hardware organization and component details for our most current and Exascale systems to help program developers understand how software needs to change in order to take best advantage of the performance available. Exascale success is specifically defined for ECP as a 50x improvement over baseline in the aggregate "capability volume" on several KPP axes, of which raw floating point performance is only one, but also includes characteristics such as problem size, system memory size, node memory size, power, and efficiency. This multi-axis approach is particularly important to understand in the context of delivered improvements in real applications, since, for instance, the floating point computation may comprise less than 10% of the actual computational work required. Given the Exascale requirements and the constraints these requirements put on the performance expectations of fundamental system components, the programmer will be forced to re-think several application implementation details in order to achieve exaflop performance on these systems. The remainder of this document aims to present more detail on Exascale era system hardware and the specific areas that the programmer should address to extract performance from these systems. We attempt to give the programmer guidance at both a high- and low-level, providing some abstract suggestions on how to refactor codes given the expected system architectures and some low-level recommendations on how to implement these modifications. We also include a section on training resources that are helpful for both programmers that are just beginning to understand code modifications for contemporary and Exascale systems and for those that have done some refactoring and are now trying to extract maximal application performance from these systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Deliver Signal Phase and Timing (SPAT) for Energy Optimization of Vehicle Cohort Via Cloud-Computing and LTE Communications

Predictive Signal Phase and Timing (SPAT) message set is one fundamental building block for vehicle-to-infrastructure (V2I) applications such as Eco-Approach and Departure (EAD) at traffic signal controlled urban intersections. Among the two complementary communication methods namely short-range sidelink (PC5) and long-range cellular radio link (Uu), this paper documents the work with long-range link: the complete data chain includes connecting to the traffic signals via existing backhaul communication network, collecting the raw signal phase state data, predicting the signal state changes and delivering the SPAT data via a geofenced service to requests over HTTP protocols. An Application Programming Interface (API) library is developed to support various cellular data transmission reduction and latency improvement techniques. An emulation-based algorithm is applied to predict the traffic signal state changes to provide adequate prediction horizon (e.g., at minimum 2 minutes) for the cohort energy optimization. In fact, the same connectivity and SPAT delivery methodology has been applied to traffic signalized intersections nationwide in the United States upon public agency approvals for access to their firewalled traffic control network and signal control systems or directly to individual controllers. This methodology proves its effectiveness and potential for rapid growth of such SPAT deliveries at mass production scale without needing infrastructure hardware retrofit or excessive communication means. To support the energy optimization of light and heavy-duty vehicle cohorts of mixed automation and propulsion systems (EV, ICE and hybrid), the connection and SPAT deliveries at two sites were completed, including public roads in Washtenaw County, Michigan and closed track test sites at American Center for Mobility (ACM) in Ypsilanti, Michigan. However, only closed test track results at ACM will be presented in this paper. A neuroevolution based optimizer is developed and implemented to control the speed of a vehicle cohort with different propulsion systems and automation levels. Closed track tests showed significant energy savings of the cohort operation.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2019

Parallelization of a Proxy Transport App Using ComputeCPP and SYCL

This document details the attempts to parallelize a multi-group Monte Carlo proxy app using SYCL and the ComputeCPP Community Edition compiler. SYCL is a standard set by the Khronos Group and is described as a, “cross-platform abstraction layer that builds on the underlying concepts, portability and efficiency of OpenCL that enables code for heterogeneous processors to be written in a “single-source” style using completely standard C++.” ComputeCpp Community Edition (CE) is a heterogeneous parallel programming platform that provides a conformant implementation of the SYCL™ 1.2.1 Khronos specification. ComputeCPP provides a compiler and an SDK containing a build system to improve the usability of the compiler. The supported OpenCL 1.2 platforms for ComputeCpp are AMD® and Intel®, with experimental support for PTX which is used on Nvidia graphics cards as well as experimental support for ARM chips. All testing reported in this document was done on the Darwin computer cluster using an Nvidia GTX Titan X graphics card. Since ComputeCPP does not support using this card with OpenCL, ComputeCPP’s experimental PTX64 bit-code generation was used to generate device code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

SIMD Programming for the SMASH Shock Physics Code

Many modern CPUs that are available to the NNSA as mission computing resources support vector instruction sets. Making good use of vector instructions, referred to as “vectorization”, is often critical to getting the best performance from these CPUs. While other codes choose to rely on compiler auto-vectorization, the SMASH shock physics code chooses to leverage APIs for explicit vectorization. These APIs are similar to directly calling the CPU vendor’s vector intrinsics, with the additional benefit of being vendor-agnostic. This document explains what the SIMD APIs are and how to use them in developing SMASH.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

The Capability Portfolio Analysis Tool (CPAT): A Mixed Integer Linear Programming Formulation for Fleet Modernization Analysis (Version 2.0.2).

In order to effectively plan the management and modernization of their large and diverse fleets of vehicles, Program Executive Office Ground Combat Systems (PEO GCS) and Program Executive Office Combat Support and Combat Service Support (PEO CS&CSS) commis- sioned the development of a large-scale portfolio planning optimization tool. This software, the Capability Portfolio Analysis Tool (CPAT), creates a detailed schedule that optimally prioritizes the modernization or replacement of vehicles within the fleet - respecting numerous business rules associated with fleet structure, budgets, industrial base, research and testing, etc., while maximizing overall fleet performance through time. This paper contains a thor- ough documentation of the terminology, parameters, variables, and constraints that comprise the fleet management mixed integer linear programming (MILP) mathematical formulation. This paper, which is an update to the original CPAT formulation document published in 2015 (SAND2015-3487), covers the formulation of important new CPAT features.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

RELAP5-3D Resolution of Known Restart/Backup Issues

The state-of-the-art nuclear reactor system safety analysis computer program developed at the Idaho National Laboratory (INL), RELAP5-3D, continues to adapt to changes in computer hardware and software and to develop to meet the ever-expanding needs of the nuclear industry. To continue at the forefront, code testing must evolve with both code and industry developments, and it must work correctly. To best ensure this, the processes of Software Verification and Validation (V&V) are applied. Verification compares coding against its documented algorithms and equations and compares its calculations against analytical solutions and the method of manufactured solutions. A form of this, sequential verification, checks code specifications against coding only when originally written then applies regression testing which compares code calculations between consecutive updates or versions on a set of test cases to check that the performance does not change. A sequential verification testing system was specially constructed for RELAP5-3D to both detect errors with extreme accuracy and cover all nuclear-plant-relevant code features. Detection is provided through a “verification file” that records double precision sums of key variables. Coverage is provided by a test suite of input decks that exercise code features and capabilities necessary to model a nuclear power plant. A matrix of test features and short-running cases that exercise them is presented. This testing system is used to test base cases (called null testing) as well as restart and backup cases. It can test RELAP5-3D performance in both standalone and coupled (through PVM to other codes) runs. Application of verification testing revealed numerous restart and backup issues in both standalone and couple modes. This document reports the resolution of these issues.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

FAST-1.2 User Installation and Verification Guide: Developed Under NQA-1-2017

The purpose of this document is to provide the user information about the installation of Fuel Analysis for Steady state and Transient (FAST)-1.2 on their computers or servers. General information about the code and supported operating systems is described in Section 1.0. Self-service oriented FAST-1.2 software licensing steps are described in Section 2.0. An installation verification test suite is provided with FAST-1.2 and described in Section 3.0. A convenience script for converting Fuel Rod Analysis Program – Constant (FRAPCON) to FAST inputs is discussed in Section 4.0. FAST-1.2 was developed and released under a software quality assurance program based upon NQA-1-2017 at Pacific Northwest National Laboratory (PNNL). FAST-1.2 is the latest baseline code. The installation verification test suite contains both steady state and transient Anticipated Operation Occurrences (AOOs), accident conditions, such as Reactivity Initiated Accidents (RIAs) and Loss of Coolant Accidents (LOCAs).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2019

Materials for learning use of GSAS-II

The General Structure Analysis System (GSAS-II) package provides materials and crystallographic analysis for all types of diffraction data. It was initially made available with very limited capabilities, but over much of the last decade the features have been expanded, so that GSAS-II is now a comprehensive tool for nearly all types of structural and materials characterization studies. The need to provide materials to teach use of GSAS-II, while the software has been undergoing constant revision and expansion, has required new approaches for documentation. This has included providing tutorials, as each major new capability has been added, and context-sensitive help for each section of the program. Comments in the code are also expanded into a software reference guide. Finally, most recently, video versions of more than half of the tutorials were created and others were provided with animated graphics. All GSAS-II documentation is web-based.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Summary Report for ASC L2 Milestone #4782: Assess Newly Emerging Programming and Memory Models for Advanced Architectures on Integrated Codes

This document serves as a detailed companion to the powerpoint slides presented as part of the ASC L2 milestone review for Integrated Codes milestone #4782 titled “Assess Newly Emerging Programming and Memory Models for Advanced Architectures on Integrated Codes”, due on 9/30/2014, and presented for formal program review on 9/12/2014. The program review committee is represented by Mike Zika (A Program Project Lead for Kull), Brian Pudliner (B Program Project Lead for Ares), Scott Futral (DEG Group Lead in LC), and Mike Glass (Sierra Project Lead at Sandia). This document, along with the presentation materials, and a letter of completion signed by the review committee will act as proof of completion for this milestone.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Seventy-Five Years of Nuclear Criticality Safety Documents--A Bibliography

A collection of nuclear criticality documents was begun in the 1970s at the University of California’s Lawrence Livermore Laboratory (now Lawrence Livermore National Laboratory). Documents in this bibliography are dated as early as 1940. The early documents described experimental work that was of vital importance to the safe use of fissile materials at nuclear reactors, the facilities for preparing or transporting nuclear fuel, or its eventual storage. The experiments were of direct value to support safe operations with fissile materials, but they were also needed for validating early physics data and calculational methods and then for validating computational methods used in criticality safety evaluations. These documents provided information for our computerized bibliographic database. The bibliography was originally intended for use by Livermore staff members but criticality safety "pioneers” encouraged us to make the database available to the broader nuclear safety community and even shared copies of their bibliographies and reports. A publication of the bibliography is being prepared and a searchable database is available on the U.S. Department of Energy’s Nuclear Criticality Safety Program’s NCSP website. The NCSP website also includes links from the bibliography to many full-text documents. The database continues to expand--the information in this paper is based on a “snapshot” of its present status. The “vintage” hardcopy document collection is preserved and is being scanned into digital format.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2017

Seventy-five years of nuclear criticality safety documents - a bibliography

A collection of nuclear criticality documents was begun in the 1970's at the University of California's Lawrence Livermore Laboratory (now Lawrence Livermore National Laboratory). Documents in this bibliography are dated as early as 1940. The early documents described experimental work that was of vital importance to the safe use of fissile materials at nuclear reactors, the facilities for preparing or transporting nuclear fuel, or its eventual storage. The experiments were of direct value to support safe operations with fissile materials but they were also needed for validating early physics data and calculational methods and then for validating computational methods used in criticality safety evaluations. These documents provided information for our computerized bibliographic database. The bibliography was originally intended for use by Livermore staff members but criticality safety 'pioneers' encouraged us to make the database available to the broader nuclear safety community and even shared copies of their bibliographies and reports. A publication of the bibliography is being prepared and a searchable database is available on the U.S. Department of Energy's Nuclear Criticality Safety Program's NCSP web site. The NCSP web site also includes links from the bibliography to many full-text documents. The database continues to expand--the information in this paper is based on a 'snapshot' of its present status. The 'vintage' hardcopy document collection is preserved and is being scanned into digital format. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

An Approach to Shared Research Systems

World-leading research requires state-of-the-art systems for research and innovation. Operational excellence is the key component of scientific excellence by implementing ubiquitous security, repeatable processes, streamlined policies, and reliable and robust infrastructure. Building a research environment to meet these needs is a complex and expensive task. In many cases, it can be financially advantageous for one or more programs, projects, and/or stakeholder(s) to pool resources to build a shared research system to meet common goals. However, such a system brings some unique challenges that need to be addressed. This document describes the process to mitigate these challenges by documenting how the interested parties contribute to the overall success of the system.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

INTERSECT Architecture Specification: Use Case Design Patterns (V.0.5)

Oak Ridge National Laboratory (ORNL)’s Self-driven Experiments for Science / Interconnected Science Ecosystem (INTERSECT) architecture project, titled “An Open Federated Architecture for the Laboratory of the Future”, creates an open federated hardware/software architecture for the laboratory of the future using a novel system of systems (SoS) and microservice architecture approach, connecting scientific instruments, robot-controlled laboratories and edge/center computing/data resources to enable autonomous experiments, “self-driving” laboratories, smart manufacturing, and artificial intelligence (AI)-driven design, discovery and evaluation. The project describes science use cases as design patterns that identify and abstract the involved hardware/software components and their interactions in terms of control, work and data flow. It creates a SoS architecture of the federated hardware/software ecosystem that clarifies terms, architectural elements, the interactions between them and compliance. It further designs a federated microservice architecture, mapping science use case design patterns to the SoS architecture with loosely coupled microservices, standardized interfaces and multi programming language support. The primary deliverable of this project is an INTERSECT Open Architecture Specification, containing the science use case design pattern catalog, the federated SoS architecture specification and the federated microservice architecture specification. This document represents the science use case design pattern catalog of the INTERSECT Open Architecture Specification.

42 ENGINEERING↗

DOE OSTI2019

Use of Neutron Flux Calculated by Shift in a Grizzly Reactor Pressure Vessel Fracture Simulation

The reactor pressure vessel (RPV) plays the critical role of containing the reactor and coolant in a light water reactor nuclear power plant, and must be able to safely perform this function under a variety of normal and off-normal transient loading conditions. The RPV is subjected to harsh environmental conditions (elevated temperature and high neutron flux) whenever the plant is operating, which leads to embrittlement of the steel over time. RPVs contain populations of flaws introduced during the manufacturing process, and the primary safety concern is that during a transient event, a fracture could initiate at the site of one of these flaws and lead to rupture of the RPV. RPVs are very rugged structures, and the probability of this occurring is very low, but as the RPV's steel becomes embrittled over time, its resistance to fracture decreases and this becomes more likely. Assessing the likelihood of RPV fracture during a transient event involves performing a probabilistic fracture mechanics analysis, in which random sampling procedures are used to assess the probability of fracture of a population of flaws. Grizzly offers unique capabilities for modeling the RPV using 1D, 2D, or 3D representations, taking advantage of parallel computing for this type of analysis. One of the important inputs to Grizzly is the spatial distribution of the neutron fluence, which has a large impact on the material embrittlement, and should thus be characterized as accurately as possible. The VERA core simulator developed by the CASL program takes advantage of high performance computing resources to perform high-fidelity multiphysics simulations of reactor physics, including the effects of neutron transport, fuel performance, and thermal hydraulics. Recently a capability was developed to also evaluate neutron fluxes away from the reactor core through the Shift code. This allows for a detailed 3D map of the spatial variation of the fluence in components such as the RPV to be computed, which is ideal for use with Grizzly. This report documents a procedure developed to use the fluences computed in Shift in a Grizzly simulation, which allows for improved realisim in the prediction of the effects of environmental exposure on propensity for reactor pressure vessel fracture. This capability demonstrated on RPVs with multiple types of configurations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2014

Summary of LANL's Preliminary Evaluation of SWORD for FY14

This document summarizes LANL’s preliminary evaluation of the SWORD (SoftWare for Optimization of Radiation Detectors) software package for use by LANL for search scenario simulations. Project LANL12-RS-039J requires Los Alamos National Laboratory (LANL) to evaluate the SWORD software program utilized by Oak Ridge National Laboratory (ORNL) for DHS activities for use as a search scenario simulator for Emergency Response (ER) activities at LANL. Our evaluation addresses the ability of LANL to install the SWORD software on LANL computing networks and the ability of the device modeler skill set use the code during ER operations.

97 MATHEMATICS AND COMPUTING↗