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At least 73 records · Page 4

Machine Learning-enabled Scalable Performance Prediction of Scientific Codes

Hardware architectures become increasingly complex as the compute capabilities grow to exascale. Here, we present the Analytical Memory Model with Pipelines (AMMP) of the Performance Prediction Toolkit (PPT). PPT-AMMP takes high-level source code and hardware architecture parameters as input and predicts runtime of that code on the target hardware platform, which is defined in the input parameters. PPT-AMMP transforms the code to an (architecture-independent) intermediate representation, then (i) analyzes the basic block structure of the code, (ii) processes architecture-independent virtual memory access patterns that it uses to build memory reuse distance distribution models for each basic block, and (iii) runs detailed basic-block level simulations to determine hardware pipeline usage. PPT-AMMP uses machine learning and regression techniques to build the prediction models based on small instances of the input code, then integrates into a higher-order discrete-event simulation model of PPT running on Simian PDES engine. We validate PPT-AMMP on four standard computational physics benchmarks and present a use case of hardware parameter sensitivity analysis to identify bottleneck hardware resources on different code inputs. We further extend PPT-AMMP to predict the performance of a scientific application code, namely, the radiation transport mini-app SNAP. To this end, we analyze multi-variate regression models that accurately predict the reuse profiles and the basic block counts. We validate predicted SNAP runtimes against actual measured times.

97 MATHEMATICS AND COMPUTING↗

Developing a Multi-Lingual Autocoding Interface for the MAVERIC-II Dynamics Simulator

Simulation model development in certain high-level languages such as Python, MATLAB, or Simulink are unparalleled by their convenience and rapid turnover time. However, legacy simulation engines often depend on more traditional languages such as FORTRAN or C/C++. The NASA Marshall Aerospace Vehicle Representation in C version II (MAVERIC-II) is a modular, legacy-derived computer program used for high-fidelity, 6 degree-of-freedom (6dof) simulation for aerospace vehicle flights and analyses of guidance and control performance with built-in mathematical modeling of environmental effects such as wind, atmosphere, and gravity as well as dispersion capability for Monte Carlo analysis. MAVERIC-II is modular in the sense that each component software element of the simulation engine may be supplanted for a higher or lower fidelity version. The design flow of the development of these models is often performed in high-level languages as mentioned previously, which must then be translated into C or C++ code to be integrated into MAVERIC-II. We propose a unified method of autocoding and interfacing between several languages and MAVERIC-II, which may be generalized further to any type of 6dof simulation engine.

Mason Nixon↗

Developing a Multilingual Auto-coding Interface Control for the MAVERIC-II Dynamics Simulator

Simulation model development in certain high-level languages such as Python, MATLAB, or Simulink are unparalleled by their convenience and rapid turnover time. However, legacy simulation engines often depend on more traditional languages such as FORTRAN or C/C++. The NASA Marshall Aerospace Vehicle Representation in C version II (MAVERIC-II) is a modular, legacy-derived computer program used for high-fidelity, 6 degree-of-freedom (6DOF) simulation for aerospace vehicle flights and analyses of guidance and control performance with built-in mathematical modeling of environmental effects such as wind, atmosphere, and gravity as well as dispersion capability for Monte Carlo analysis. MAVERIC-II is modular in the sense that each component software element of the simulation engine may be supplanted for a higher or lower fidelity version. The design flow of the development of these models is often performed in high-level languages as mentioned previously, which must then be translated into C or C++ code to be integrated into MAVERIC-II. Using principles of model-based design, we propose a unified method of auto-coding and interfacing between several languages and MAVERIC-II, which may be generalized further to any type of 6DOF simulation engine.

Mason Nixon↗

Catalyst Revised: Rethinking the ParaView in Situ Analysis and Visualization API

As in situ analysis goes mainstream, ease of development, deployment, and maintenance becomes essential, perhaps more so than raw capabilities. In this paper, we present the design and implementation of Catalyst, an API for in situ analysis using ParaView, which we refactored with these objectives in mind. Furthermore, our implementation combines design ideas from in situ frameworks and HPC tools like Ascent and MPICH.

97 MATHEMATICS AND COMPUTING↗

Integrated Analysis Capability pilot computer program

An integrated analysis capability (IAC) computer software package was developed for the design analysis and performance evaluation of large space systems. The IAC aids the user in coupling the required technical disciplines (initially structures, thermal and controls), providing analysis solution paths which reveal critical interactive effects in order to study loads, stability and mission performance. Existing technical software modules, having a wide existing user community, are combined with the interface software to bridge between the different technologies and mathematical modeling techniques. The package is supported by executive, data management and interactive graphics software, with primary development within the superminicomputer environment.

Vos, R. G.↗

A Framework for Robust Multivariable Optimization of Integrated Circuits in Space Applications

Application Specific Integrated Circuit (ASIC) design for space applications involves multiple challenges of maximizing performance, minimizing power and ensuring reliable operation in extreme environments. This is a complex multidimensional optimization problem which must be solved early in the development cycle of a system due to the time required for testing and qualification severely limiting opportunities to modify and iterate. Manual design techniques which generally involve simulation at one or a small number of corners with a very limited set of simultaneously variable parameters in order to make the problem tractable are inefficient and not guaranteed to achieve the best possible results within the performance envelope defined by the process and environmental requirements. What is required is a means to automate design parameter variation, allow the designer to specify operational constraints and performance goals, and to analyze the results in a way which facilitates identifying the tradeoffs defining the performance envelope over the full set of process and environmental corner cases. The system developed by the Mixed Signal ASIC Group (MSAG) at the Goddard Space Flight Center is implemented as framework of software modules, templates and function libraries. It integrates CAD tools and a mathematical computing environment, and can be customized for new circuit designs with only a modest amount of effort as most common tasks are already encapsulated. Customization is required for simulation test benches to determine performance metrics and for cost function computation. Templates provide a starting point for both while toolbox functions minimize the code required. Once a test bench has been coded to optimize a particular circuit, it is also used to verify the final design. The combination of test bench and cost function can then serve as a template for similar circuits or be re-used to migrate the design to different processes by re-running it with the new process specific device models. The system has been used in the design of time to digital converters for laser ranging and time-of-flight mass spectrometry to optimize analog, mixed signal and digital circuits such as charge sensitive amplifiers, comparators, delay elements, radiation tolerant dual interlocked (DICE) flip-flops and two of three voter gates.

DuMonthier, Jeffrey↗

Robust Multivariable Optimization and Performance Simulation for ASIC Design

Application-specific-integrated-circuit (ASIC) design for space applications involves multiple challenges of maximizing performance, minimizing power, and ensuring reliable operation in extreme environments. This is a complex multidimensional optimization problem, which must be solved early in the development cycle of a system due to the time required for testing and qualification severely limiting opportunities to modify and iterate. Manual design techniques, which generally involve simulation at one or a small number of corners with a very limited set of simultaneously variable parameters in order to make the problem tractable, are inefficient and not guaranteed to achieve the best possible results within the performance envelope defined by the process and environmental requirements. What is required is a means to automate design parameter variation, allow the designer to specify operational constraints and performance goals, and to analyze the results in a way that facilitates identifying the tradeoffs defining the performance envelope over the full set of process and environmental corner cases. The system developed by the Mixed Signal ASIC Group (MSAG) at the Goddard Space Flight Center is implemented as a framework of software modules, templates, and function libraries. It integrates CAD tools and a mathematical computing environment, and can be customized for new circuit designs with only a modest amount of effort as most common tasks are already encapsulated. Customization is required for simulation test benches to determine performance metrics and for cost function computation.

DuMonthier, Jeffrey↗

MFANS 2024 - Dimensional Analysis Made Easy

There is a significant impact of dimensional errors in systems. Dimensional analysis is difficult due to the large size of systems. SA4U and Scalpel are practical programs which can have an impact beyond traditional software as they are able to perform precise dimensional analysis and repair C++ source code.

97 MATHEMATICS AND COMPUTING↗

Special Topic on High Performance Computing in Chemical Physics

Computational modeling and simulation have become indispensable scientific tools in virtually all areas of chemical, biomolecular, and materials systems research. Computation can provide unique and detailed atomic level information that is difficult or impossible to obtain through analytical theories and experimental investigations. In addition, recent advances in micro-electronics have resulted in computer architectures with unprecedented computational capabilities, from the largest supercomputers to common desktop computers. In conclusion, combined with the development of new computational domain science methodologies and novel programming models and techniques, this has resulted in modeling and simulation resources capable of providing results at or better than experimental chemical accuracy and for systems in increasingly realistic chemical environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

JUSTIFI: Software for Improving Performance Objectives via Energy Efficiency

With growing energy supply concerns and rising costs, energy efficiency is a critical component of industrial energy resilience and competitiveness by directly reducing energy operating costs. Energy efficiency projects in manufacturing also yield valuable benefits to other key metrics, such as improved quality, reduced maintenance costs, improved safety, decreased pollution, and enhanced productivity. However, it is difficult to receive approval for energy efficiency projects, so implementation rates are low, even when meeting capital project payback period criteria. The inclusion and quantification of non-energy benefits (NEBs) in the decision-making process for energy efficiency projects can improve the overall financial payback period while demonstrating a positive impact on the firm's key performance metrics and business strategy. Despite their significant financial and strategic value, NEBs are rarely factored into decision-making due to lack of tools to effectively identify and quantify them. Therefore, a comprehensive and integrative approach is needed for the rapidly evolving energy landscape. To address these challenges, through funding from U.S. Department of Energy, our new assessment methodology integrates common continuous improvement six sigma concepts, such as the DMAIC process, and a protocol of guiding questions, into energy efficiency assessments to identify NEBs. We have also developed open-source software, JUSTIFI, to guide users through this process, data collection, and quantification. It is designed to be used concurrently with DOE energy system analysis software suite, MEASUR. Our methodology and tools inform energy assessors, firm engineering, decision makers, and workforce seeking to increase energy resilience and to maximize benefits aligned with performance metrics.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Strengthening Technical Safeguards of Fresh Fuel Through International Cooperation

Over time, nuclear fuel designs have shifted towards having higher initial enrichments and a greater number of burnable poison rods. This enables increased burnup for commercial reasons. These changes have made safeguards measurements of the 235 U content in modern fresh fuel more challenging.This is addressed here through a re-evaluation of the UNCL (Uranium Neutron Collar–Light Water Reactor Fuel)poison rod correction factor. Coefficients of the poison rod correction factor were updated by simulating response of AngraII PWR fuel with a wide range of both burnable poison rods and Gd 2 O 3 contentper rod. Benchmark comparisons are made to experiments performed at Resende (Brazil) and CNEN/LASAL in Brazil. By updating these coefficients, while maintaining the same mathematical form to allow INCC to be used without software modification,it was possible to reduce error in experimental 235 U linear density assay by an order of magnitude.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

LLNL Response to the DOE ASCR RFI, "Stewardship of Software for Scientific and High-Performance Computing"

For decades, Lawrence Livermore National Laboratory (LLNL) has been engaged in significant research, development, and support for software to enable scientific computing and, particularly, the use of high performance computing (HPC) in the NNSA mission space. In particular, the move in the mid-1990’s to simulation as a leading component of stockpile stewardship through the ASCI and the successor ASC programs, as well as the need for reliable data acquisition and control software for the National Ignition Facility, have been important drivers in building expertise in production-quality software development at LLNL. LLNL has also been a leader in the DOE SciDAC FASTMath Institute and the DOE Exascale Computing Project (ECP), both of which have striven to make scientific computing software – in particular, the enabling technologies underpinning simulation capabilities – more widely adopted and sustainable. As such, we believe that our experience can inform the broader goal of software stewardship for scientific and high-performance computing. LLNL strongly supports the formation of a new DOE ASCR program element in software stewardship and sustainment. Historically, DOE ASCR has funded applied mathematics and computer science research that has led to the development of important new capabilities and algorithms that are expressed as artifacts in research software. Such frameworks, libraries, and tools have seldom been directly funded to address the important issues of code maintenance, documentation, robustness, and community building. Software engineering and support have typically been done on the side in support of the ASCR-driven research products. DOE funding priorities have been slow to recognize that good software engineering, the kind that ensures research investments have more adoption and longevity, requires significant resources. Based upon our experiences, we have prepared this response to highlight the concerns and issues we believe to be important as DOE ASCR considers its role in scientific software stewardship. We believe that role is important and will require a significant investment of new funding to legitimately support the technologies past and future DOE ASCR investments have and will produce to facilitate their uptake and adoption in the broader scientific computing community. Following a summary of our involvement in scientific software development, the remainder our response is organized around the nine topics specifically identified in the RFI.

97 MATHEMATICS AND COMPUTING↗

Fixing Amdahl's Law within the Limits of Accelerated Systems: FALLACY

Closeout report for FALLACY project. The performance of Data Model Convergence Initiative (DMC) applications on parallel machines is far below the limit set by Amdahl’s law. Whether the machine is based on many-core, GPUs, FPGAs, or a heterogeneous combination, usually the most significant bottleneck is accessing data from the memory system. Aligning with DMC’s HW/architecture thrust, this project developed a set of memory-centric tools called ‘MemGaze’ that inform the HW/SW stack about an application’s memory behavior, including data access latency and diagnosing poor data layout and data composition. Our approach uses architectural modeling and analysis of workload data accesses.

97 MATHEMATICS AND COMPUTING↗

Accelerated Data Analytics for Power-System Time-Series (ADAPT) [Final Project Report]

Over the past decade, electric utilities have made significant progress in deploying networks of phasor measurement units (PMUs). The high-speed measurements provided by PMUs are valuable for offline analysis, but the sheer volume of data presents a challenge for utilities. The Accelerated Data Analytics for Power-System Time-Series (ADAPT) project was created to address this challenge by developing SciSync, an open-source software tool that enables utilities to rapidly read, process, analyze, and review grid measurements. SciSync was designed to provide the capabilities of Archive Walker, a research tool developed by PNNL, along with the reliability and performance of commercial-grade software.

24 POWER TRANSMISSION AND DISTRIBUTION↗

SCO#1197 Addendum #4 OSR Characterization Database (Test Report)

A test plan was developed and approved in June of 2022. Testing was successfully performed to verify the functions of Version 2.0 of the OSR Characterization database. Checks verified that data remains consistent to tests previously performed using Microsoft Access® 2003, 2010 and 2016.

97 MATHEMATICS AND COMPUTING↗

Automated orbit determination using tracking and data relay satellite (TDRS) data

A prototype for an onboard satellite orbit determination system has been developed at the Goddard Space Flight Center (GSFC) to aid in the research and development of onboard navigation. Two versions of the system, one for laboratory investigation and one for ground demonstration, are being used to gain insight into the feasibility and practicality of microprocessor-based automated orbit determination. This paper describes the mathematical modeling and the software structure of each system and presents the results of laboratory evaluation in terms of computational accuracy and real-time processing performance.

Shank, D. E.↗

Software For Processing Meteorological Data

GEMPAK general meterological software includes programs to analyze and display surface, upper-air, or gridded data, including outputs of mathematical models. Includes capabilities to derive meteorological parameters to perform vertical interpolations to different coordinate systems, and to compute extensive set of gridded diagnostic quantities. Graphics/transformation subsystem, GEMPLT, provides capability to display output in variety of map projections or overlaid on satellite imagery. Written in FORTRAN 77.

Desjardins, Mary L.↗

Two-Dimensional Quantum Model of a Nanotransistor

A mathematical model, and software to implement the model, have been devised to enable numerical simulation of the transport of electric charge in, and the resulting electrical performance characteristics of, a nanotransistor [in particular, a metal oxide/semiconductor field-effect transistor (MOSFET) having a channel length of the order of tens of nanometers] in which the overall device geometry, including the doping profiles and the injection of charge from the source, gate, and drain contacts, are approximated as being two-dimensional. The model and software constitute a computational framework for quantitatively exploring such device-physics issues as those of source-drain and gate leakage currents, drain-induced barrier lowering, and threshold voltage shift due to quantization. The model and software can also be used as means of studying the accuracy of quantum corrections to other semiclassical models.

Govindan, T. R.↗