Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Mathematical software performance”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Performance portable ice-sheet modeling with MALI

High-resolution simulations of polar ice sheets play a crucial role in the ongoing effort to develop more accurate and reliable Earth system models for probabilistic sea-level projections. These simulations often require a massive amount of memory and computation from large supercomputing clusters to provide sufficient accuracy and resolution; therefore, it has become essential to ensure performance on these platforms. Many of today’s supercomputers contain a diverse set of computing architectures and require specific programming interfaces in order to obtain optimal efficiency. In an effort to avoid architecture-specific programming and maintain productivity across platforms, the ice-sheet modeling code known as MPAS-Albany Land Ice (MALI) uses high-level abstractions to integrate Trilinos libraries and the Kokkos programming model for performance portable code across a variety of different architectures. In this article, we analyze the performance portable features of MALI via a performance analysis on current CPU-based and GPU-based supercomputers. The analysis highlights not only the performance portable improvements made in finite element assembly and multigrid preconditioning within MALI with speedups between 1.26 and 1.82x across CPU and GPU architectures but also identifies the need to further improve performance in software coupling and preconditioning on GPUs. We perform a weak scalability study and show that simulations on GPU-based machines perform 1.24–1.92x faster when utilizing the GPUs. The best performance is found in finite element assembly, which achieved a speedup of up to 8.65x and a weak scaling efficiency of 82.6% with GPUs. We additionally describe an automated performance testing framework developed for this code base using a changepoint detection method. The framework is used to make actionable decisions about performance within MALI. We provide several concrete examples of scenarios in which the framework has identified performance regressions, improvements, and algorithm differences over the course of 2 years of development.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Dakota A Multilevel Parallel Object-Oriented Framework for Design Optimization Parameter Estimation Uncertainty Quantification and Sensitivity Analysis (V.6.14) (Theory Manual)

The Dakota toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a theoretical manual for selected algorithms implemented within the Dakota software. It is not intended as a comprehensive theoretical treatment, since a number of existing texts cover general optimization theory, statistical analysis, and other introductory topics. Rather, this manual is intended to summarize a set of Dakota-related research publications in the areas of surrogate-based optimization, uncertainty quantification, and optimization under uncertainty that provide the foundation for many of Dakota's iterative analysis capabilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Advanced System Thermal Fluids Solver Development for SAM

This work summarizes a feasibility study on testing numerical algorithms that are suitable and efficient for advanced system analysis code development under the mutli-physics framework, MOOSE. The key is the implementation of a high-order one-dimensional staggered-grid finite volume method (SG-FVM), and its direct interaction with the linear/nonlinear solver, PETSc. Leveraging the existing capabilities of the SAM code, significant code coverages were established in the finite volume method code. This in turn allows for a suite of test problems with different problem sizes and levels of complexity to be used to quantify the performance improvement of the finite volume method code. As evidently shown in this study, the implemented SG-FVM demonstrated superior performance improvement against a direct finite element method implementation through MOOSE for the wide range of selected problems. On two computer systems, the speedup was observed to be significant, with at least one order of magnitude of solving time reduction. In addition, for a complex reactor model, transient simulation was performed using the finite volume method code, the results of which agree very well with the reference results from the finite element method code. Overall, this study demonstrates a successful feasibility study on the proposed numerical algorithms and software structure to support advanced system analysis tool development. In this work, short-term priority development and testing items were identified, and long-term code adoption and integration plans were made for the eventual deployment of the finite volume method in the SAM code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

ExaFEL: extreme-scale real-time data processing for X-ray free electron laser science

ExaFEL is an HPC-capable X-ray Free Electron Laser (XFEL) data analysis software suite for both Serial Femtosecond Crystallography (SFX) and Single Particle Imaging (SPI) developed in collaboration with the Linac Coherent Lightsource (LCLS), Lawrence Berkeley National Laboratory (LBNL) and Los Alamos National Laboratory. ExaFEL supports real-time data analysis via a cross-facility workflow spanning LCLS and HPC centers such as NERSC and OLCF. Our work therefore constitutes initial path-finding for the US Department of Energy's (DOE) Integrated Research Infrastructure (IRI) program. We present the ExaFEL team's 7 years of experience in developing real-time XFEL data analysis software for the DOE's exascale supercomputers. We present our experiences and lessons learned with the Perlmutter and Frontier supercomputers. Furthermore we outline essential data center services (and the implications for institutional policy) required for real-time data analysis. Finally we summarize our software and performance engineering approaches and our experiences with NERSC's Perlmutter and OLCF's Frontier systems. This work is intended to be a practical blueprint for similar efforts in integrating exascale compute resources into other cross-facility workflows.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Development and Refinement of DER Steady State Model for QSTS Analysis

EPRI formed a working group of utilities and software vendors called the Distribution Advanced PV Model Working Group (DAWG). The working group has been focused on building consensus regarding the models that represent the reactive power capabilities outlined in Section 5 of IEEE Std 1547™-2018. This report provides an overview of the reactive and active power capabilities specified in IEEE Std 1547™-2018 and outlines a specification of key functions for usage during steady state snapshot and time series power flow analysis. Additionally, it presents a framework for performing tests to verify the correct operation of functions during power flow analysis.

14 SOLAR ENERGY↗
NASA NTRS2011

High-Performance Data Analysis Tools for Sun-Earth Connection Missions

The data analysis tool of choice for many Sun-Earth Connection missions is the Interactive Data Language (IDL) by ITT VIS. The increasing amount of data produced by these missions and the increasing complexity of image processing algorithms requires access to higher computing power. Parallel computing is a cost-effective way to increase the speed of computation, but algorithms oftentimes have to be modified to take advantage of parallel systems. Enhancing IDL to work on clusters gives scientists access to increased performance in a familiar programming environment. The goal of this project was to enable IDL applications to benefit from both computing clusters as well as graphics processing units (GPUs) for accelerating data analysis tasks. The tool suite developed in this project enables scientists now to solve demanding data analysis problems in IDL that previously required specialized software, and it allows them to be solved orders of magnitude faster than on conventional PCs. The tool suite consists of three components: (1) TaskDL, a software tool that simplifies the creation and management of task farms, collections of tasks that can be processed independently and require only small amounts of data communication; (2) mpiDL, a tool that allows IDL developers to use the Message Passing Interface (MPI) inside IDL for problems that require large amounts of data to be exchanged among multiple processors; and (3) GPULib, a tool that simplifies the use of GPUs as mathematical coprocessors from within IDL. mpiDL is unique in its support for the full MPI standard and its support of a broad range of MPI implementations. GPULib is unique in enabling users to take advantage of an inexpensive piece of hardware, possibly already installed in their computer, and achieve orders of magnitude faster execution time for numerically complex algorithms. TaskDL enables the simple setup and management of task farms on compute clusters. The products developed in this project have the potential to interact, so one can build a cluster of PCs, each equipped with a GPU, and use mpiDL to communicate between the nodes and GPULib to accelerate the computations on each node.

Messmer, Peter↗
DOE OSTI2023

PluginPlay: Enabling exascale scientific software one module at a time

For many computational chemistry packages, being able to efficiently and effectively scale across an exascale cluster is a heroic feat. Collective experience from the Department of Energy’s Exascale Computing Project suggests that achieving exascale performance requires far more planning, design, and optimization than scaling to petascale. In many cases, entire rewrites of software are necessary to address fundamental algorithmic bottlenecks. This in turn requires a tremendous amount of resources and development time, resources that cannot reasonably be afforded by every computational science project. It thus becomes imperative that computational science transition to a more sustainable paradigm. Key to such a paradigm is modular software. While the importance of modular software is widely recognized, what is perhaps not so widely appreciated is the effort still required to leverage modular software in a sustainable manner. The present manuscript introduces PluginPlay, https://github.com/NWChemEx-Project/PluginPlay, an inversion-of-control framework designed to facilitate developing, maintaining, and sustaining modular scientific software packages. Here this manuscript focuses on the design aspects of PluginPlay and how they specifically influence the performance of the resulting package. Although, PluginPlay serves as the framework for the NWChemEx package, PluginPlay is not tied to NWChemEx or even computational chemistry. We thus anticipate PluginPlay to prove to be a generally useful tool for a number of computational science packages looking to transition to the exascale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Characterization of the Redesigned Extended MITL for HERMES III

Modeling and simulation of the legacy HERMES III Magnetically Insulated Transmission Line (MITL) has been performed using EMPHASIS, an unstructured time-domain electromagnetic (UTDEM) particle-in-cell (PIC) simulation software. This design when used lost roughly half of its current before the pulse reached the load. The cause of the current loss in the MITL was found to be the vacuum impedance changes along the MITL. The MITL was then redesigned to maintain constant impedance and simulated in EMPHASIS once again. Following predicting simulation results, the new MITL was then built, installed, and tested, showing minimal current loss and good agreement with simulation and theoretical results, all of which are reported here. Additionally, an analysis of experimental voltage calculation techniques using cathode and anode currents is performed and compared to simulation results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Unified Memory: GPGPU-Sim/UVM Smart Integration

CPU/GPU heterogeneous compute platforms are an ubiquitous element in computing and a programming model specified for this heterogeneous computing model is important for both performance and programmability. A programming model that exposes the shared, unified, address space between the heterogeneous units is a necessary step in this direction as it removes the burden of explicit data movement from the programmer while maintaining performance. GPU vendors, such as AMD and NVIDIA, have released software-managed runtimes that can provide programmers the illusion of unified CPU and GPU memory by automatically migrating data in and out of the GPU memory. However, this runtime support is not included in GPGPU-Sim, a commonly used framework that models the features of a modern graphics processor that are relevant to non-graphics applications. UVM Smart was developed, which extended GPGPU-Sim 3.x to in- corporate the modeling of on-demand pageing and data migration through the runtime. This report discusses the integration of UVM Smart and GPGPU-Sim 4.0 and the modifications to improve simulation performance and accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Storage Sizing and Placement Simulation: Quick-Start Case Study User’s Guide

The Storage Sizing and Placement Simulation (SSIM) application allows a user to define the possible sizes and locations of energy storage elements on an existing grid model defined in OpenDSS. Given these possibilities, the software will automatically search through them and attempt to determine which configurations result in the best overall grid performance. This quick-start guide will go through, in detail, the creation of an SSIM model based on a modified version of the IEEE 34 bus test feeder system. There are two primary parts of this document. The first is a complete list of instructions with little-to-no explanation of the meanings of the actions requested. The second is a detailed description of each input and action stating the intent and effect of each. There are links between the two sections.

25 ENERGY STORAGE↗
DOE OSTI2024

SPARTAN (Scalable Probabilistic Application Reconfigurable Tensor Autonomous Network)

The technical founder of Ludwig Computing Inc has been competitively selected for support by Cyclotron Road, a U.S. Department of Energy (DOE) Advanced Manufacturing Office (AMO) Lab-Embedded Entrepreneurship Program (LEEP) through an approved merit review process. Ludwig Computing Inc, supported by the U.S. Department of Energy's Advanced Manufacturing Office through the Cyclotron Road program, has investigated the advantages of probabilistic computing for real-world compute-intensive applications. This research adds to the understanding of alternative computing paradigms by exploring a unique hardware-software co-design that integrates quantum computing methods with nature-inspired problem-solving techniques. The project's focus on areas such as combinatorial optimization, graph analytics, and machine learning demonstrates the potential for significant advancements in computational efficiency and performance. By harnessing natural randomness to streamline large circuits into fewer devices, Ludwig's approach enables massive parallelism, potentially offering higher throughput, speed, and energy efficiency compared to conventional hardware solutions. This work benefits the public by paving the way for more efficient computing solutions that could address complex real-world problems while potentially reducing energy consumption in data-intensive industries.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Resilience Through Data-Driven, Intelligent Designed Control: A Formal Methods Approach

The PNNL and GTRI team developed a strategy to integrate temporal logic rule specification for detection of cyber-intrusion in the source code and control algorithms of CPS using advanced cyber-data. The GTRI team utilized its capabilities in rule synthesis and temporal logic specifications for software assurance and verification to detect and predict impact of cyber-intrusions and malware in the computational and control algorithms of cyber-physical systems. The team also developed a testing and verification approach that could be used to validate the suggested approach against a realistic use-case CPS showcasing improvements in system impact prediction performance. Temporal logic offers a compact expression of events in absolute and relative time and has a formalized translation to state machines. As such, temporal logic rules can feasibly be synthesized to any system as a rule engine, with the process being formally verified to be correct. The goal here is to utilize temporal logic rules to detect cyber-attacks and manipulations in the computational algorithms and provide real-time software assurance and verification guarantees.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2011

Project Management Using Modern Guidance, Navigation and Control Theory

Implementing guidance, navigation, and control (GN&C) theory principles and applying them to the human element of project management and control is not a new concept. As both the literature on the subject and the real-world applications are neither readily available nor comprehensive with regard to how such principles might be applied, this paper has been written to educate the project manager on the "laws of physics" of his or her project (not to teach a GN&C engineer how to become a project manager) and to provide an intuitive, mathematical explanation as to the control and behavior of projects. This paper will also address how the fundamental principles of modern GN&C were applied to the National Aeronautics and Space Administration's (NASA) Constellation Program (CxP) space suit project, ensuring the project was managed within cost, schedule, and budget. A project that is akin to a physical system can be modeled and managed using the same over arching principles of GN&C that would be used if that project were a complex vehicle, a complex system(s), or complex software with time-varying processes (at times nonlinear) containing multiple data inputs of varying accuracy and a range of operating points. The classic GN&C theory approach could thus be applied to small, well-defined projects; yet when working with larger, multiyear projects necessitating multiple organizational structures, numerous external influences, and a multitude of diverse resources, modern GN&C principles are required to model and manage the project. The fundamental principles of a GN&C system incorporate these basic concepts: State, Behavior, Feedback Control, Navigation, Guidance and Planning Logic systems. The State of a system defines the aspects of the system that can change over time; e.g., position, velocity, acceleration, coordinate-based attitude, and temperature, etc. The Behavior of the system focuses more on what changes are possible within the system; this is denoted in the state of the system. The behavior of a system, as captured in the system modeling, when properly done will aid in accurately predicting future system performance. The Feedback Control system understands the state and behavior of the system and uses feedback to adjust control inputs into the system. The feedback, which is the right arm of the Control system, allows change to be affected in the overall system; it therefore is important to not only correctly identify the system feedback inputs, but also the system response to the feedback inputs. The Navigation system takes multiple data inputs and based on a priori knowledge of the inputs, develops a statistically based weighting of the inputs and measurements to determine the system's state. Guidance and Planning Logic of the system, complete with an understanding of where the system is (provided by the Navigation system), will in turn determine where the system needs to be and how to get it there. With any system/project, it is critical that the objective of the system/project be clearly defined -- not only to plan but to measure performance and to aid in guiding the system or the project. The system principles discussed above, which can be and have been applied to the current CxP space suit development project, can also be mapped to real-world constituents, thus allowing project managers to apply systems theories that are well defined in engineering and mathematics to a discipline (i.e., Project Management) that historically has been based in personal experience and intuition. This mapping of GN&C theory to Project Management will, in turn, permit a direct, methodical approach to Project Management, planning and control providing a tool to help predict (and guide) performance and an understanding of the project constraints, how the project can be controlled, and the impacts to external influences and inputs. This approach, to a project manager, flows down to the three bottom-line variables of cost, schedule, and scope ando the needed control of these three variables to successfully perform and complete a project.

Hill, Terry R.↗
DOE OSTI2021

Replicated Computational Results (RCR) Report for “Adaptive Precision Block-Jacobi for High Performance Preconditioning in the Ginkgo Linear Algebra Software”

The article by Flegar et al. titled “Adaptive Precision Block-Jacobi for High Performance Preconditioning in the Ginkgo Linear Algebra Software” presents a novel, practical implementation of an adaptive precision block-Jacobi preconditioner. Performance results using state-of-the-art GPU architectures for the block-Jacobi preconditioner generation and application demonstrate the practical usability of the method, compared to a traditional full-precision block-Jacobi preconditioner. A production-ready implementation is provided in the Ginkgo numerical linear algebra library. In this report, the Ginkgo library is reinstalled and performance results are generated to perform a comparison to the original results when using Ginkgo’s Conjugate Gradient solver with either the full or the adaptive precision block-Jacobi preconditioner for a suite of test problems on an NVIDIA GPU accelerator. After completing this process, the published results are deemed reproducible.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Code Coverage Status of ARC Code-DIF3D

The Argonne Reactor Code (ARC) software system supports users in their fast reactor design goals by providing neutronic, thermal-hydraulic, and structural analysis capabilities. DIF3D plays a pivotal role in the ARC system as the primary homogenized assembly neutronic calculation methodology for fast reactor problems. Over its 40 years history, ARC software usage with DIF3D has been applied to numerous fast and thermal spectrum reactor analysis projects with good to excellent comparison against experiments. With continued improvement of computation resources, many of the geometry modeling capabilities in DIF3D that were primarily used in low order schemes are not really needed anymore. Today, the diffusion and transport capabilities of DIF3D-VARIANT are primarily used in the reactor design process with some scattered usage of DIF3D-FD and DIF3D-Nodal. In recent work, the DIF3D software verification was completed for DIF3D-FD and DIF3D-VARIANT on the geometry options used in the Versatile Test Reactor project. While we can be confident that these capabilities of DIF3D are well used and thus trusted, it does not demonstrate that all possible input options of DIF3D are actually working, but just those that were tested as part of VTR are and that they are correct. Thus, the purpose of the present work is to identify a set of test problems for DIF3D and assess the code coverage of DIF3D for those test problems. The goal is to document what parts of the existing DIF3D code are touched by the set of test problems and which are not. Because the verification work done on DIF3D-VARIANT and DIF3D-FD was focused on the most common uses of DIF3D for fast reactor analysis, the code coverage assessment of those capabilities is the highest priority. This will ensure that nothing is being missed by the existing verification test problems that DIF3D relies upon. The DIF3D-Nodal capability will also be inspected for code coverage as part of this work to further ensure that regular regression testing of DIF3D will trap any likely errors the end user might experience with the DIF3D software. The code coverage analysis of DIF3D was performed with the Code Coverage Tool of the Intel Fortran compiler which requires modifications to the compilation of DIF3D. The detailed coverage tables are given for each submodule of DIF3D separately, and for the submodules which are primarily developed for DIF3D, most of the source files could be at least partially touched. Most of the uncovered parts/files could be easily ignored, because they are either for error message and debugging output or obviously not needed by DIF3D. Out of the entire source codes of DIF3D, only a few uncovered modules deserve further investigation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

ECP ST Project 2.3.1.06-STPM08-RAJA (Final Report)

Modern high-performance computing architectures are diverse, with hardware designs that feature multicore CPUs and CPUs plus accelerators, such as GPUs or FPGAs. Achieving good application performance often requires using a programming model and managing application data in ways that are best suited to a particular platform. For large codes that are used daily in production, and are under continual development, architecture-specific ports are untenable. Maintainability requires single-source code that is performance portable across a range of architectures and programming model back-ends. This report describes RAJA, Umpire, and CHAI, three software libraries that provide complementary capabilities to enable application portability for high performance computing (HPC) platforms. In particular, these libraries provide software abstractions that insulate application source code from hardware architecture and programming model-specific implementation details. These development of these libraries was motivated by the needs of multiphysics applications in the Weapons Simulation and Computing Program (WSC) at Lawrence Livermore National Laboratory (LLNL). Funding though the Exascale Computing Project (ECP) Software Technology (ST) project 2.3.1.06 RAJA has fostered outreach and collaboration with the ECP application and software technology development communities. In this report, we describe ECP adoption and integration of these tools to this point. The larger goal of the report is to describe to the ECP community what these projects offer, how they are used, and how to approach adoption and integration of them.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

E-Area Low-Level Waste Facility GoldSim System Model

This report documents the development of the E-Area Low-Level Waste Facility (ELLWF) trench system model. The GoldSim® Monte Carlo simulation software is utilized to model the release and transport of radiological inventory disposed (both currently and in the future) within Engineered and Slit Trenches. This model is in support of the sensitivity and uncertainty analysis for the ELLWF Performance Assessment. The ELLWF system model utilizes a hybrid-approach to accurately describe the disposal system. The Hydrologic Evaluation of Landfill Performance model provides the infiltration data to both PORFLOW and GoldSim. PORFLOW is used to calibrate the GoldSim model to ensure confidence in the stochastic results. Finally, the concentrations from GoldSim transport simulations are fed into the SRNL Dose Toolkit to calculate dose impacts and assess plume interaction

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Accelerating Multigrid-based Hierarchical Scientific Data Refactoring on GPUs

Rapid growth in scientific data and a widening gap between computational speed and I/O bandwidth make it increasingly infeasible to store and share all data produced by scientific simulations. Instead, we need methods for reducing data volumes: ideally, methods that can scale data volumes adaptively so as to enable negotiation of performance and fidelity tradeoffs in different situations. Multigrid-based hierarchical data representations hold promise as a solution to this problem, allowing for flexible conversion between different fidelities so that, for example, data can be created at high fidelity and then transferred or stored at lower fidelity via logically simple and mathematically sound operations. However, the effective use of such representations has been hindered until now by the relatively high costs of creating, accessing, reducing, and otherwise operating on such representations. We describe here highly optimized data refactoring kernels for GPU accelerators that enable efficient creation and manipulation of data in multigrid-based hierarchical forms. We demonstrate that our optimized design can achieve up to 250 TB/s aggregated data refactoring throughput—83% of theoretical peak—on 1024 nodes of the Summit supercomputer. We showcase our optimized design by applying it to a large-scale scientific visualization workflow and the MGARD lossy compression software.

Data refactoring↗