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At least 865 records · Page 48

Initial Characterization of the NREL Large-Amplitude Motion Platform

The Large Amplitude Motion Platform (LAMP) at NREL represents a significant advancement in the controlled testing of Wave Energy Converters (WECs) under laboratory conditions. Originally designed by E2M as a six-degree-of-freedom (DOF) Stewart platform for flight simulation, LAMP has been adapted by NREL to facilitate the mounting and evaluation of WECs. This adaptation enables dry testing of WECs using motion profiles similar to the ocean, facilitating the iterative design, testing, and validation of WEC performance prior to ocean deployments. This report presents the initial work completed to characterize LAMP, with particular emphasis on its stability and operational capabilities across various single and multi-degree-of-freedom (DOF) motion profiles. The report includes planned comparisons at three distinct mass payloads, aimed at assessing the platform's positional accuracy, frequency response, and endurance over extended runtime periods. These experimental tests are critical for establishing the platform's limitations and ensuring that the data generated during WEC validation is both accurate and reproducible. The outcomes of this study not only contribute to a deeper understanding of LAMP's capabilities but also lay the groundwork for future advancements in WEC testing methodologies. By providing robust and reliable performance data within a controlled laboratory setting, the findings are expected to significantly enhance the development and commercialization of marine energy technologies. This report presents the initial findings of the LAMP Characterization work and proposed steps to further understand and characterize LAMP. Data collected during this work can be found on MHKDR at: https://mhkdr.openei.org/submissions/602 Note that this report shares the measured/found instantaneous maximum operating range of LAMP. For most applications the maximum operating range cannot be used for system health and longevity. The operating range and capabilities of LAMP will be evaluated on a case-by-case basis, single-DOF position, velocity, and acceleration values presented in Table 4a-c, and Table 5 should be taken as instantaneous absolute maximum values. Future use of LAMP will likely be limited to smaller values.

16 TIDAL AND WAVE POWER↗

Semantic Complex Event Processing over End-to-End Data Flows

Emerging Complex Event Processing (CEP) applications in cyber physical systems like SmartPower Grids present novel challenges for end-to-end analysis over events, flowing from heterogeneous information sources to persistent knowledge repositories. CEP for these applications must support two distinctive features - easy specification patterns over diverse information streams, and integrated pattern detection over realtime and historical events. Existing work on CEP has been limited to relational query patterns, and engines that match events arriving after the query has been registered. We propose SCEPter, a semantic complex event processing framework which uniformly processes queries over continuous and archived events. SCEPteris built around an existing CEP engine with innovative support for semantic event pattern specification and allows their seamless detection over past, present and future events. Specifically, we describe a unified semantic query model that can operate over data flowing through event streams to event repositories. Compile-time and runtime semantic patterns are distinguished and addressed separately for efficiency. Query rewriting is examined and analyzed in the context of temporal boundaries that exist between event streams and their repository to avoid duplicate or missing results. The design and prototype implementation of SCEPterare analyzed using latency and throughput metrics for scenarios from the Smart Grid domain.

Zhou, Qunzhi↗

Software design space exploration for exascale combustion co-design

The design of hardware for next-generation exascale computing systems will require a deep understanding of how software optimizations impact hardware design trade-offs. In order to characterize how co-tuning hardware and software parameters affects the performance of combustion simulation codes, we created ExaSAT, a compiler-driven static analysis and performance modeling framework. Our framework can evaluate hundreds of hardware/software configurations in seconds, providing an essential speed advantage over simulators and dynamic analysis techniques during the co-design process. Our analytic performance model shows that advanced code transformations, such as cache blocking and loop fusion, can have a significant impact on choices for cache and memory architecture. Our modeling helped us identify tuned configurations that achieve a 90% reduction in memory traffic, which could significantly improve performance and reduce energy consumption. These techniques will also be useful for the development of advanced programming models and runtimes, which must reason about these optimizations to deliver better performance and energy efficiency.

97 MATHEMATICS AND COMPUTING↗

Evaluation of native Earth system model output with ESMValTool v2.6.0

Earth system models (ESMs) are state-of-the-art climate models that allow numerical simulations of the past, present-day, and future climate. To extend our understanding of the Earth system and improve climate change projections, the complexity of ESMs heavily increased over the last decades. As a consequence, the amount and volume of data provided by ESMs has increased considerably. Innovative tools for a comprehensive model evaluation and analysis are required to assess the performance of these increasingly complex ESMs against observations or reanalyses. One of these tools is the Earth System Model Evaluation Tool (ESMValTool), a community diagnostic and performance metrics tool for the evaluation of ESMs. Input data for ESMValTool needs to be formatted according to the CMOR (Climate Model Output Rewriter) standard, a process that is usually referred to as “CMORization”. While this is a quasi-standard for large model intercomparison projects like the Coupled Model Intercomparison Project (CMIP), this complicates the application of ESMValTool to non-CMOR-compliant climate model output. In this paper, we describe an extension of ESMValTool introduced in v2.6.0 that allows seamless reading and processing of “native” climate model output, i.e., operational output produced by running the climate model through the standard workflow of the corresponding modeling institute. This is achieved by an extension of ESMValTool's preprocessing pipeline that performs a CMOR-like reformatting of the native model output during runtime. Thus, the rich collection of diagnostics provided by ESMValTool is now fully available for these models. For models that use unstructured grids, a further preprocessing step required to apply many common diagnostics is regridding to a regular latitude–longitude grid. Extensions to ESMValTool's regridding functions described here allow for more flexible interpolation schemes that can be used on unstructured grids. Currently, ESMValTool supports nearest-neighbor, bilinear, and first-order conservative regridding from unstructured grids to regular grids. Example applications of this new native model support are the evaluation of new model setups against predecessor versions, assessing of the performance of different simulations against observations, CMORization of native model data for contributions to model intercomparison projects, and monitoring of running climate model simulations. For the latter, new general-purpose diagnostics have been added to ESMValTool that are able to plot a wide range of variable types. Currently, five climate models are supported: CESM2 (experimental; at the moment, only surface variables are available), EC-Earth3, EMAC, ICON, and IPSL-CM6. As the framework for the CMOR-like reformatting of native model output described here is implemented in a general way, support for other climate models can be easily added.

58 GEOSCIENCES↗

CE TSUNAMI-3D Algorithm Improvements in SCALE 6.2

The TSUNAMI (Tools for Sensitivity and Uncertainty Analysis Methodology Implementation) capabilities within the SCALE code system make use of sensitivity coefficients for an extensive number of criticality safety applications such as quantifying the data-induced uncertainty in the eigenvalue of critical systems, assessing the neutronic similarity between different systems, quantifying computational biases, and guiding nuclear data adjustment studies. The continuous-energy (CE) TSUNAMI-3D code is a new tool included in SCALE 6.2 that allows for eigenvalue and generalized response sensitivity calculations using high-fidelity CE Monte Carlo methods. This paper describes several improvements to CE TSUNAMI-3D beyond those previously published. These improvements primarily consist of - A multi-response capability for the CE TSUNAMI generalized response sensitivity calculation mode; and - Efficiency improvements in CE TSUNAMI's Iterated Fission Probability (IFP)-based algorithms. This paper documents several improvements to the CE TSUNAMI-3D sensitivity algorithms included in the SCALE 6.2 release. These improvements have enabled the simulation of multiple GPT responses within a single CE TSUNAMI simulation, a feature that increases the memory footprint of the simulations by approximately 1-3% per response and the runtime by approximately 1-2%, per response. These algorithmic improvements have also significantly improved the computational efficiency of CE TSUNAMI IFP-based sensitivity calculations, reducing the memory footprints approximately by a factor of 3 and the simulation runtimes by 10-70%. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Long-term trends in connected thermostat performance

Internet-connected thermostats (CTs) control heating and cooling systems in about 30% of North American homes, and capture half of annual thermostat sales. In 2017 the U.S. Environmental Protection Agency created a program to certify the performance of ENERGY STAR® Connected Thermostats. To demonstrate compliance with energy-saving criteria, thermostat vendors must submit performance summaries for a representative sample of up to 1250 homes. Vendors must then re-submit results from a new, representative sample every six months in order to maintain their ENERGY STAR certification. This procedure has created a unique record of each thermostat’s long-term performance in response to changes in weather, customer demographics, building stock, and algorithms. Our analysis covers submissions from 13 different vendors, who submitted data up to 7 times over four years. We found that these semi-annual samples generated relatively stable trends for comfort temperatures and Heating, Ventilating and Air Conditioning (HVAC) runtimes over the study period. However, some vendors achieved consistently more energy-conserving comfort temperatures and shorter HVAC runtimes than others. The most recent submission runtimes averaged 700 hours for heating and 1,300 hours for cooling, but some vendors achieved runtimes as much as 17% below the mean. This implies lower energy consumption is due in large part to more successful algorithms and control strategies used by those vendors.

Meier, Alan↗

APRES Prototype Mission Planner System Demonstration

Activity Planning with Resources for the Exploration of Space (APRES) is a mixed-initiative mission planning system for ground operations. APRES has been designed to support multi-spacecraft missions. The APRES Interface is browser-based and includes a plan editor, a timeline plan display, a temporal constraint editor, display of the state and numeric chronicles, and a violation resolution manager. Automation support is supplied by the APRES Service, which includes components that provide the following capabilities:(1) plan simulation, which determines the state and numeric chronicles (values of the model variables over time) and determines when "processes" are triggered and terminated based on world states in the execution trace, (2) violation detection of constraints and flight rules encoded in the domain model, and of the temporal constraints created by the user, (3) violation resolution suggestions as to how to fix the plan's violations via rescheduling. The user controls when and how to utilize the automation support. Demo video included with paper, runtime 8:54 in color with sound.

John L. Bresina↗

A Case Study with the HACCmk Kernel in SYCL

The SYCL standard specifies a cross-platform abstraction layer that enables programming of heterogeneous computing systems using standard C++ [1]. In the Open Computing Language (OpenCL) programming model, host and device codes are written in different languages [2 ]. To improve development productivity and performance portability, the SYCL programming model combines host and device codes for an application in a type-safe way. In this report, we are interested in applying the SYCL programming model to a computationally intensive routine derived from the Hardware Accelerated Cosmology Code (HACC) framework for a study on performance portability on a heterogeneous computing device. We use Intel® OneAPI toolkit [3] to build the OpenCL and SYCL programs, and evaluate the performance of both implementations on Intel® integrated GPUs. We find that the SYCL implementation can achieve the same performance as the OpenCL implementation after we specify a target backend for the compiler to build the SYCL program in offline compilation. Without the specification of a target backend, the runtime will have to compile intermediate device codes for a target platform. Such runtime overhead may become significant compared to the execution of a kernel on a target device. As the kernel routine is compute-bound, we evaluate the impact of the number of compute units upon the kernel’s raw performance using two GPUs. When the hardware resource is not underutilized, we can obtain almost linear performance speedup from 48 compute units to 72 compute units in offline compilation, which indicates that the number of compute units on a GPU are important to improving the raw performance of a compute-bound kernel. The experimental results show that SYCL is a promising programming model for heterogeneous computing. The remainder of the report is organized as follows: In Section II, we describe the SYCL programming model, the steps to map an OpenCL program to a SYCL program, and the architecture of an integrated GPU. Section III introduces the kernel routine, and presents the OpenCL and SYCL implementations of the kernel. In Section IV, we evaluate the performance of the implementations on the GPUs. Section V concludes the report.

97 MATHEMATICS AND COMPUTING↗

ATEAM4Py: An Efficient and Scalable Python-Based Model for Charging Demand

This report details the development and implementation of ATEAM4Py, a Python-based simulation model that projects demand for battery electric vehicle (BEV) charging based on adoption trends and consumer behavior. With Exelon’s support, Argonne National Laboratory converted the original Java-based Agent-based Transportation Energy Analysis Model (ATEAM) into Python, resulting in a faster and more efficient tool for forecasting the timing, location, and scale of charging demand growth. ATEAM4Py tackles key challenges in simulation efficiency and runtime, supporting the strategic development of cost-effective grid capacity expansion strategies and ensuring reliable service for stakeholders.

33 ADVANCED PROPULSION SYSTEMS↗

Scientific Core Library Stack (SCLS) v2026

SCLS (Scientific Core Library Stack) is an opinionated build and packaging system for scientific computing libraries developed at Lawrence Berkeley National Laboratory. It produces a coherent, reproducible stack of numerical libraries — including BLAS/LAPACK, MPI, sparse direct and iterative solvers, graph partitioners, and parallel I/O libraries (e.g., PETSc, SLEPc, HDF5, NetCDF, MUMPS, OpenBLAS) — that work together without manual repair by downstream scientific software. From a single recipe-and-flavor model, SCLS produces native RPM packages for RHEL-family Linux, DEB packages for Debian/Ubuntu, direct Unix-style prefix installs for HPC and locked-down environments, and native macOS builds. Multiple build "flavors" (e.g., GCC+OpenBLAS, GCC+MKL, Intel+MKL, debug) coexist in distinct prefixes on the same host. Compared to general-purpose meta-build frameworks, SCLS is deliberately curated rather than infinitely configurable. It enforces deterministic, audit-friendly behavior: explicit build dependencies, no silent feature autodetection, a clear open-source license policy, and rpath-based runtime linkage so installs integrate cleanly with standard package-manager workflows.

Messe, Christian [Lawrence Berkeley National Labor↗

Using Graph Partitioning for Scalable Distributed Quantum Molecular Dynamics

The simulation of the physical movement of multi-body systems at an atomistic level, with forces calculated from a quantum mechanical description of the electrons, motivates a graph partitioning problem studied in this article. Several advanced algorithms relying on evaluations of matrix polynomials have been published in the literature for such simulations. We aim to use a special type of graph partitioning to efficiently parallelize these computations. For this, we create a graph representing the zero–nonzero structure of a thresholded density matrix, and partition that graph into several components. Each separate submatrix (corresponding to each subgraph) is then substituted into the matrix polynomial, and the result for the full matrix polynomial is reassembled at the end from the individual polynomials. This paper starts by introducing a rigorous definition as well as a mathematical justification of this partitioning problem. We assess the performance of several methods to compute graph partitions with respect to both the quality of the partitioning and their runtime.

97 MATHEMATICS AND COMPUTING↗

IDAES-PSE 2.6.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.6.0 Release Highlights Upcoming Changes IDAES will be switching to the new Pyomo solver interface in the next release. Whilst this will hopefully be a smooth transition for most users, there are a few important changes to be aware of. The new solver interface uses a different version of the IPOPT writer (“ipopt_v2”) and thus any custom configuration options you might have set for IPOPT will not carry over and will need to be reset. By default, the new Pyomo linear presolver will be activated with ipopt_v2. Whilst are working to identify any bugs in the presolver, it is possible that some edge cases will remain. IDAES will begin deploying a new set of scaling tools and APIs over the next few releases that make use of the new solver writers. The old scaling tools and APIs will remain for backward compatibility but will begin to be deprecated. New Models, Tools and Features New Intersphinx extension automatically linking Jupyter notebook examples to project documentation New end-to-end diagnostics example demonstrated on a real problem New complementarity formulation for VLE with cubic equations of state, backward compatibility for old formulation New solver interface with presolve (ipopt_v2) in support of upcoming changes to the initialization and APIs methods, with default set to ipopt to maintain backwards compatibility; this will deprecate once all examples have been updated New forecaster and parameterized bidder methods within grid integration library Updated surrogates API and examples to support Keras 3, with backwards compatibility for older formats such as TensorFlow SavedModel (TFSM) Updated costing base dictionary to include the 2023 cost year index value Updated ProcessBlock to include information on the constructing block class Updated Flowsheet Visualizer to allow visualize() method to return value and functions Bug Fixes Fixed bug in the Modular Property Framework that would cause errors when trying to use phase-based material balances with phase equilibria. Fixed bug in Modular Properties Framework that caused errors when initializing models with non-vapor-liquid phase equilibria. Fixed typos flagged by June update to crate-ci/typos and removed DMF-related exceptions Minor corrections of units of measurement handling in power plant waste/transport costing expressions, control volume material holdup expressions, and BTX property package parameters Fixed throwing >7500 numpy deprecation warnings by replacing scalar value assignment with element extraction and item iteration calls Testing and Robustness Migrated slow tests (>10s) to integration, impacting test coverage but also yielding a nearly 30% decrease in local test runtime Pinned pint to avoid issues with older supported Python versions Pinned codecov versions to avoid tokenless upload behavior with latest version Bumped extensions to version 3.4.2 to allow pointing to non-standard install location Deprecations and Removals Python 3.8 is no longer supported. The supported Python versions are 3.9 through 3.12 The Data Management Framework (DMF) is no longer supported. Importing idaes.core.dmf will cause a deprecation warning to be displayed until the next release The SOFC Keras surrogates have been removed. The current version of the SOFC surrogate model in the examples repository is a PySMO Kriging model.

AS↗

In-Situ Feature Extraction of Large Scale Combustion Simulations Using Segmented Merge Trees, In: SC '14: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis

The ever increasing amount of data generated by scientific simulations coupled with system I/O constraints are fueling a need for in-situ analysis techniques. Of particular interest are approaches that produce reduced data representations while maintaining the ability to redefine, extract, and study features in a post-process to obtain scientific insights. This paper presents two variants of in-situ feature extraction techniques using segmented merge trees, which encode a wide range of threshold based features. The first approach is a fast, low communication cost technique that generates an exact solution but has limited scalability. The second is a scalable, local approximation that nevertheless is guaranteed to correctly extract all features up to a predefined size. We demonstrate both variants using some of the largest combustion simulations available on leadership class supercomputers. Our approach allows state-of-the-art, feature-based analysis to be performed in-situ at significantly higher frequency than currently possible and with negligible impact on the overall simulation runtime.

Computer Science↗

In Situ Visualization and Production of Extract Databases

Simulations running at high concurrency on HPC systems generate large volumes of data that are impractical to write to disk due to time and storage constraints. Applications often adapt by saving data infrequently, resulting in datasets with poor temporal resolution. This can make datasets difficult to interpret during post hoc visualization and analysis, or worse, it can lead to lost science. In Situ visualization and analysis can enable efficient production of small data products such as rendered images or surface extracts that consist of polygonal geometry plus fields. These data products are far smaller than their source data and can be processed much more economically in a traditional post hoc workflow using far fewer computational resources. We used the SENSEI and Libsim in situ infrastructures to implement rendering workflow and surface data extraction workflows in the AVF-LESLIE combustion code. Finally, these workflows were then demonstrated at high levels of concurrency and showed significant data reductions and limited impact on the simulation runtime.

97 MATHEMATICS AND COMPUTING↗

Adapting CLUTCH methodology to multigroup TSUNAMI-3D for eigenvalue sensitivity calculations

The sensitivity of the eigenvalue to uncertainties in nuclear data and its evaluation are important for nuclear criticality safety. TSUNAMI-3D sequences within the SCALE code system offer several options to the user community for calculating eigenvalue sensitivity coefficients with multigroup (MG) and continuous energy (CE) 3D transport capabilities. TSUNAMI-3D sequences implement the adjoint-based perturbation theory with MG KENO code, the Contributon Linked eigenvalue sensitivity/Uncertainty estimation via Track length importance CHaracterization (CLUTCH) method with CE KENO code, and the Iterated Fission Probability (IFP) method with CE KENO and Shift codes. Each method has benefits and limitations depending on the problem that is run. The work presented here aims to adapt the CLUTCH method, which enables the Contributon method's mesh-free, memory-efficient approach for calculating adjoint-weighted tallies for sensitivity calculations, to the MG TSUNAMI-3D sequence. This application would eliminate the explicit adjoint KENO calculation, as well as the memory-consuming mesh flux moment tallies required by the conventional MG TSUNAMI-3D. Smaller memory footprints in the CLUTCH methodology and relatively shorter runtimes in MG KENO transport can make MG TSUNAMI-3D a viable method for some complex problems. Moreover, this adaptation allows MG sensitivity calculations with Shift, ORNL's next-generation high-performance Monte Carlo transport code, which currently does not offer any sensitivity capabilities with MG particle transport simulations. Initial implementation of the new MG TSUNAMI-3D sequence and its preliminary results with a selected critical benchmark experiment in the Verified, Archived Library of Inputs and Data (VALID) are presented in this study.

KENO↗

Maintaining the Health of Software Monitors

Software health management (SWHM) techniques complement the rigorous verification and validation processes that are applied to safety-critical systems prior to their deployment. These techniques are used to monitor deployed software in its execution environment, serving as the last line of defense against the effects of a critical fault. SWHM monitors use information from the specification and implementation of the monitored software to detect violations, predict possible failures, and help the system recover from faults. Changes to the monitored software, such as adding new functionality or fixing defects, therefore, have the potential to impact the correctness of both the monitored software and the SWHM monitor. In this work, we describe how the results of a software change impact analysis technique, Directed Incremental Symbolic Execution (DiSE), can be applied to monitored software to identify the potential impact of the changes on the SWHM monitor software. The results of DiSE can then be used by other analysis techniques, e.g., testing, debugging, to help preserve and improve the integrity of the SWHM monitor as the monitored software evolves.

Runtime Monitor↗

Efficiently modeling neural networks on massively parallel computers

Neural networks are a very useful tool for analyzing and modeling complex real world systems. Applying neural network simulations to real world problems generally involves large amounts of data and massive amounts of computation. To efficiently handle the computational requirements of large problems, we have implemented at Los Alamos a highly efficient neural network compiler for serial computers, vector computers, vector parallel computers, and fine grain SIMD computers such as the CM-2 connection machine. This paper describes the mapping used by the compiler to implement feed-forward backpropagation neural networks for a SIMD (Single Instruction Multiple Data) architecture parallel computer. Thinking Machines Corporation has benchmarked our code at 1.3 billion interconnects per second (approximately 3 gigaflops) on a 64,000 processor CM-2 connection machine (Singer 1990). This mapping is applicable to other SIMD computers and can be implemented on MIMD computers such as the CM-5 connection machine. Our mapping has virtually no communications overhead with the exception of the communications required for a global summation across the processors (which has a sub-linear runtime growth on the order of O(log(number of processors)). We can efficiently model very large neural networks which have many neurons and interconnects and our mapping can extend to arbitrarily large networks (within memory limitations) by merging the memory space of separate processors with fast adjacent processor interprocessor communications. This paper will consider the simulation of only feed forward neural network although this method is extendable to recurrent networks.

Farber, Robert M.↗

Reducing False Positives in Runtime Analysis of Deadlocks

This paper presents an improvement of a standard algorithm for detecting dead-lock potentials in multi-threaded programs, in that it reduces the number of false positives. The standard algorithm works as follows. The multi-threaded program under observation is executed, while lock and unlock events are observed. A graph of locks is built, with edges between locks symbolizing locking orders. Any cycle in the graph signifies a potential for a deadlock. The typical standard example is the group of dining philosophers sharing forks. The algorithm is interesting because it can catch deadlock potentials even though no deadlocks occur in the examined trace, and at the same time it scales very well in contrast t o more formal approaches to deadlock detection. The algorithm, however, can yield false positives (as well as false negatives). The extension of the algorithm described in this paper reduces the amount of false positives for three particular cases: when a gate lock protects a cycle, when a single thread introduces a cycle, and when the code segments in different threads that cause the cycle can actually not execute in parallel. The paper formalizes a theory for dynamic deadlock detection and compares it to model checking and static analysis techniques. It furthermore describes an implementation for analyzing Java programs and its application to two case studies: a planetary rover and a space craft altitude control system.

Bensalem, Saddek↗