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All sources NASA NTRS DOE OSTI

DOE OSTI2016

A Fault-oblivious Extreme-scale Execution Environment

Exascale computing systems will provide a thousand-fold increase in parallelism and a proportional increase in failure rate relative to today's machines. Systems software for exascale machines must provide the infrastructure to support existing applications while simultaneously enabling efficient execution of new programming models that naturally express dynamic, adaptive, irregular computation; coupled simulations; and massive data analysis in a highly unreliable hardware environment with billions of threads of execution. We propose a new approach to the data and work distribution model provided by system software based on the unifying formalism of an abstract file system. The proposed hierarchical data model provides simple, familiar visibility and access to data structures through the file system hierarchy, while providing fault tolerance through selective redundancy. The hierarchical task model features work queues whose form and organization are represented as file system objects. Data and work are both first class entities. By exposing the relationships between data and work to the runtime system, information is available to optimize execution time and provide fault tolerance. The data distribution scheme provides replication (where desirable and possible) for fault tolerance and efficiency, and it is hierarchical to make it possible to take advantage of locality. The user, tools, and applications, including legacy applications, can interface with the data, work queues, and one another through the abstract file model. This runtime environment will provide multiple interfaces to support traditional Message Passing Interface applications, languages developed under DARPA's High Productivity Computing Systems program, as well as other, experimental programming models. We will validate our runtime system with pilot codes on existing platforms and will use simulation to validate for exascale-class platforms. In this final report, we summarize research results from the work done at the Ohio State University towards the larger goals of the project listed above.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

statusMessageReporting

Unlike computer languages like C++ which has throw/catch, Python which has try/except and other newer computer languages, C has no built-in mechanism for handling exceptions (e.g., memory allocate failure or a divide by zero exceptions). While simple exception handling in the form of an integer parameter (e.g, errno) or an enum are often implemented in C programs, the richer types of exception reporting possible with newer computer languages are rarely implemented in C. The statusMessageReporting package was created to facilitate rich exception reporting by C functions to their calling functions. The statusMessageReporting (smr) package allows a function, called the generator, to communicate an exception to its calling function using a statusMessageReporting report. The main parts of a report are: 1)the level of the report called the status (valid levels are smr_status_Ok, smr_status_Info, smr_statusWarning and smr_status_Error) 2) a string called the report's message and 3) two integer values, one representing the generator's ID, called the libraryID, and the other is the library's specific integer, called the code, that represents the type of exception the generator is reporting. The code is similar to the errno for the C standard library. Since libraries are often developed independent of one another, they often use the same code values to represent different exceptions (e.g., one library may define the code 3 to be an error opening a file while another library may define the code 3 to be a divide-by-zero error) which is why the libraryID is needed. That is, the equivalent of errno is the combination libraryID:code. To insure that each library's libraryID is unique, libraryIDs must be obtained from the function smr_registerLibrary.

Beck, Bret↗

DOE OSTI2016

Sci-Fri AM: Quality, Safety, and Professional Issues 05: QC Program Management and the Benefits of QATrack+

Purpose: Treatment unit uptime statistics are typically used to monitor radiation equipment performance. The Ottawa Hospital Cancer Centre has introduced the use of Quality Control (QC) test success as a quality indicator for equipment performance and overall health of the equipment QC program. Methods: Implemented in 2012, QATrack+ is used to record and monitor over 1100 routine machine QC tests each month for 20 treatment and imaging units ( http://qatrackplus.com/ ). Using an SQL (structured query language) script, automated queries of the QATrack+ database are used to generate program metrics such as the number of QC tests executed and the percentage of tests passing, at tolerance or at action. These metrics are compared against machine uptime statistics already reported within the program. Results: Program metrics for 2015 show good correlation between pass rate of QC tests and uptime for a given machine. For the nine conventional linacs, the QC test success rate was consistently greater than 97%. The corresponding uptimes for these units are better than 98%. Machines that consistently show higher failure or tolerance rates in the QC tests have lower uptimes. This points to either poor machine performance requiring corrective action or to problems with the QC program. Conclusions: QATrack+ significantly improves the organization of QC data but can also aid in overall equipment management. Complimenting machine uptime statistics with QC test metrics provides a more complete picture of overall machine performance and can be used to identify areas of improvement in the machine service and QC programs.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2013

A scalable infrastructure for the performance analysis of passive target synchronization

Partitioned global address space (PGAS) languages combine the convenient abstraction of shared memory with the notion of affinity, extending multi-threaded programming to large-scale systems with physically distributed memory. However, in spite of their obvious advantages, PGAS languages still lack appropriate tool support for performance analysis, one of the reasons why their adoption is still in its infancy. Some of the performance problems for which tool support is needed occur at the level of the underlying one-sided communication substrate, such as the Aggregate Remote Memory Copy Interface (ARMCI). One such example is the waiting time in situations where asynchronous data transfers cannot be completed without software in- tervention at the target side. This is not uncommon on systems with reduced operating-system kernels such as IBM Blue Gene/P where the use of progress threads would double the number of cores necessary to run an application. In this paper, we present an extension of the Scalasca trace-analysis infrastructure aimed at the identification and quantification of progress-related waiting times at larger scales. We demonstrate its utility and scalability using a benchmark running with up to 32,768 processes.

performance analysis, event tracing, one-sided com↗

DOE OSTI2025

Nuclear Materials Packaging, Transportation, and Systems Analysis Group Software Quality Assurance Plan: ANSYS Mechanical Finite Element Analysis Software Version 2023R1

ANSYS Inc. develops and markets engineering simulation software and services used in the aerospace, automotive, manufacturing, electronics, biomedical, energy, defense, and many other industries. ANSYS is dedicated to engineering simulation and is the world’s leading software provider. ANSYS was founded in 1970 and is headquartered in Canonsburg, Pennsylvania. ANSYS provides an engineering analysis tool combining structural, thermal, computational fluid dynamics, acoustic, and electromagnetic simulation capabilities. ANSYS has two main programs, which use the same solvers: (1) Mechanical APDL (ANSYS Design Parametric Language), a Fortran-based coding platform, and (2) ANSYS Workbench, which uses a graphical user interface to aid in finite element analysis implementation. This plan covers both APDL and Workbench. The ANSYS computer program is a large-scale, multipurpose finite element program that can be used to solve several classes of engineering analyses. The analysis capabilities of ANSYS include the ability to solve static and dynamic structural analyses, steady-state and transient heat transfer problems, mode-frequency and buckling eigenvalue problems, static or time-varying magnetic analyses, and various types of field and coupled-field applications. The program contains many special features that allow nonlinearities or secondary effects such as plasticity, large strain, hyperelasticity, creep, swelling, large deflections, contact, stress stiffening, temperature dependency, material anisotropy, and radiation to be included in the solution. As ANSYS has been developed, other special capabilities such as substructuring, submodeling, random vibration, kinetostatics, kinetodynamics, free convection fluid analysis, acoustics, magnetics, piezoelectrics, coupled-field analysis, and design optimization have been added to the program. These capabilities contribute further to making ANSYS a multipurpose analysis tool for varied engineering disciplines. The ANSYS program has been in commercial use for over 50 years and has been used extensively in the aerospace, automotive, construction, electronic, energy services, manufacturing, nuclear, plastics, oil, and steel industries. Additionally, many consulting firms and hundreds of universities have used ANSYS for analysis, research, and educational purposes. ANSYS is recognized worldwide as one of the most widely used and capable programs of its type. Ansys design analysis software is the first created within a quality system with ISO 9001 certification, the internationally accepted quality standard. Product development, testing, maintenance and support processes also meet the United States Nuclear Regulatory Commission's quality requirements, as they have for nearly four decades. The Quality Assurance Service Agreement is suitable for the customers working in the nuclear industry who need to meet specific federal regulations including 10CRF50 Appendix B and provisions of 10CFR21. ANSYS has retained its original International Organization for Standardization (ISO) 9001 accreditation certificate since1995-05-04, It’s current certificate is valid until 2027-05-29.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2019

Equation-based object-oriented modeling and simulation for data center cooling: A case study

© 2019 Elsevier B.V. Data center cooling accounts for about 1% of electricity usage in the United States. Computer models are pivotal in designing and operating energy-efficient cooling systems. Compared to conventional building performance simulation programs, the equation-based object-oriented modeling language Modelica is an emerging approach that can enable fast prototyping and dynamic simulation of cooling systems. In this case study, we first modeled the cooling and control systems of an actual data center located in Massachusetts using the open-source Modelica Buildings library, and then calibrated a baseline model based on measurement data. The simulation of the baseline model identified several operation-related issues in the cooling and control systems, such as degraded cooling coils, improper dead band in control settings, and simultaneous cooling and heating in air handlers. Afterwards, we used a sequential search technique as well as an optimization scheme to investigate the energy saving potentials for different energy efficiency measures aiming to address the abovementioned issues. Simulation results show potential energy savings up to 24% by resolving identified control-related issues and optimizing the supply air temperature.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2013

PERIOD ERROR ESTIMATION FOR THE KEPLER ECLIPSING BINARY CATALOG

The Kepler Eclipsing Binary Catalog (KEBC) describes 2165 eclipsing binaries identified in the 115 deg{sup 2} Kepler Field based on observations from Kepler quarters Q0, Q1, and Q2. The periods in the KEBC are given in units of days out to six decimal places but no period errors are provided. We present the PEC (Period Error Calculator) algorithm, which can be used to estimate the period errors of strictly periodic variables observed by the Kepler Mission. The PEC algorithm is based on propagation of error theory and assumes that observation of every light curve peak/minimum in a long time-series observation can be unambiguously identified. The PEC algorithm can be efficiently programmed using just a few lines of C computer language code. The PEC algorithm was used to develop a simple model that provides period error estimates for eclipsing binaries in the KEBC with periods less than 62.5 days: log {sigma}{sub P} Almost-Equal-To - 5.8908 + 1.4425(1 + log P), where P is the period of an eclipsing binary in the KEBC in units of days. KEBC systems with periods {>=}62.5 days have KEBC period errors of {approx}0.0144 days. Periods and period errors of seven eclipsing binary systems in the KEBC were measured using the NASA Exoplanet Archive Periodogram Service and compared to period errors estimated using the PEC algorithm.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

ATDM ASD report to ECP FY18Q4

Kokkos and DARMA teams worked together on several significant proposals for the C++ standards body, including the MDSpan and Exectutors proposals. This work has potential for long-term impact into the language standard reflecting core abstractions needed for our HPC programming and development efforts. Kokkos team collaborating with AMD via the Path Forward effort. This is advancing Kokkos support for [AMD] backends, necessary for future exascale/HPC architectures.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Sample Cybersecurity Clauses for EV Charging Infrastructure Procurements

This is the final version of PNNL-34373, with sponsor updates. The proposed sample cybersecurity clauses for EVCI procurements are designed to assist in managing the risk of cyberattacks that may degrade the safety, security, and reliability of EVCI. The sample clauses are intended to be tailored and incorporated into procurement specifications for equipment and services related to the National EV Infrastructure Formula Program deployments. Widespread adoption of the sample cybersecurity procurement language will integrate cybersecurity throughout the life cycle of the infrastructure.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2018

The Ongoing Evolution of OpenMP

Here, this paper presents an overview of the past, present and future of the OpenMP application programming interface (API). While the API originally specified a small set of directives that guided shared memory fork-join parallelization of loops and program sections, OpenMP now provides a richer set of directives that capture a wide range of parallelization strategies that are not strictly limited to shared memory. As we look toward the future of OpenMP, we immediately see further evolution of the support for that range of parallelization strategies and the addition of direct support for debugging and performance analysis tools. Looking beyond the next major release of the specification of the OpenMP API, we expect the specification eventually to include support for more parallelization strategies and to embrace closer integration into its Fortran, C and, in particular, C++ base languages, which will likely require the API to adopt additional programming abstractions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

End-to-end interoperability and workflows from building architecture design to one or more simulations

An end-to-end interoperability and workflows from building architecture design to one or more simulations, in one aspect, may comprise establishing a BIM enablement platform architecture. A data model defines data entities and entity relationships for enabling the interoperability and workflows. A data definition language may be implemented that defines and creates a table schema of a database associated with the data model. Data management services and/or application programming interfaces may be implemented for interacting with the data model. Web services may also be provided for interacting with the data model via the Web. A user interface may be implemented that communicates with users and uses the BIM enablement platform architecture, the data model, the data definition language, data management services and application programming interfaces to provide functions to the users to perform work related to building information management.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

End-to-end interoperability and workflows from building architecture design to one or more simulations

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Idiomatic Correctness-Checking via Julienne in Fortran 2023

This paper presents a unified approach to unit testing and runtime assertion checking using Fortran 2023. The paper describes the support for our approach in the Julienne framework. Julienne leverages recent Fortran standards to implement object-oriented design patterns, support testing parallel programs, and implement functional programming patterns in order to craft idioms inspired by natural-language expressions. The presented idioms employ novel operators to write expressions that evaluate to a test-diagnosis object encapsulating two components: (1) the test outcome or assertion outcome and (2) an automatically generated diagnostic string. Two other novel aspects of the approach include (1) the ability to enforce assertions inside pure procedures and (2) the ability to output rich diagnostic information inside pure procedures during error termination when assertions fail. The latter capability mitigates against a reason that Fortran programmers commonly cite for not writing pure procedures: difficulty obtaining useful program output inside pure procedures when debugging code. This paper demonstrates how the adoption of the proposed idioms leads naturally to a unifying theme across two otherwise disparate technologies: unit testing and runtime assertion checking. Finally, this paper describes the usage of the Julienne testing framework for writing unit tests and assertions in the Matcha high-performance computing application and the Fiats deep learning library.

Rouson, Damian↗

DOE OSTI2015

UCX: An Open Source Framework for HPC Network APIs and Beyond, In: 2015 IEEE 23rd Annual Symposium on High-Performance Interconnects

This paper presents Unified Communication X (UCX), a set of network APIs and their implementations for high throughput computing. UCX comes from the combined effort of national laboratories, industry, and academia to design and implement a high-performing and highly-scalable network stack for next generation applications and systems. UCX design provides the ability to tailor its APIs and network functionality to suit a wide variety of application domains and hardware. We envision these APIs to satisfy the networking needs of many programming models such as Message Passing Interface (MPI), OpenSHMEM, Partitioned Global Address Space (PGAS) languages, task-based paradigms and I/O bound applications. To evaluate the design we implement the APIs and protocols, and measure the performance of overhead-critical network primitives fundamental for implementing many parallel programming models and system libraries. Our results show that the latency, bandwidth, and message rate achieved by the portable UCX prototype is very close to that of the underlying driver. With UCX, we achieved a message exchange latency of 0.89 us, a bandwidth of 6138.5 MB/s, and a message rate of 14 million messages per second. As far as we know, this is the highest bandwidth and message rate achieved by any network stack (publicly known) on this hardware.

Computer Science↗

DOE OSTI2020

CCAMP: OpenMP and OpenACC Interoperable Framework

Heterogeneous systems have become a staple of the HPC environment. Several directive-based solutions, such as OpenMP and OpenACC, have been developed to alleviate the challenges of programming heterogeneous systems, and these standards strive to provide a single portable programming solution across heterogeneous environments. However, in many ways this goal has yet to be realized due to device-specific implementations and different levels of language support across compilers. In this framework we aim to analyze and address the different levels of optimization and compatibility between OpenACC and OpenMP programs and device compilers. We introduce the CCAMP framework, built on the OpenARC compiler, which implements language translation between OpenACC and OpenMP, with the goal of exploiting the maturity of different device-specific compilers to maximize performance for a given architecture. We show that CCAMP allows us to generate code for a specific device-compiler combination given a device-agnostic OpenMP or OpenACC program, allowing compilation and execution of programs with specific directives on otherwise incompatible devices. CCAMP also provides a starting point for a more advanced interoperable framework that can effectively provide directive translation and device, compiler, and application specific optimizations.

Lambert, Jacob↗

DOE OSTI2025

Conceptualizing Coproduced Climate Research as Care: Practical Lessons Learned With Women Farmland‐Owners in the Central Midwest United States

ABSTRACT This article's team of interdisciplinary researchers and conservation educator‐practitioners learned with, and from, a group of women farmland‐owners regarding how to conceptualize coproduced climate research by putting “care” at the center—care for the soil, for relationships, for data. We outline the creation and evolution of a storytelling‐based conservation program that allowed our diverse group to discover how the language of care could integrate climate analysis, conservation, and relationship‐building to foster tangible solutions. As a result of the project, the women landowners took actions that supported social‐environmental resilience—from planting cover crops to fostering watershed/neighborhood relationships. Our diverse group of women landowners and researchers had very different experiences with conservation and often very different views on climate change itself, but, through storytelling and the language of care, we not only coproduced knowledge but also created relationships and action. This article outlines specific practices for how to inflect a coproduced process for climate resilience with practices that promote care and yield action projects.

Shenk, Linda [Department of English Iowa State Uni↗

DOE OSTI2025

A cross-platform execution engine for the quantum intermediate representation

Hybrid languages like the quantum intermediate representation (QIR) are essential for programming systems that mix quantum and conventional computing models, while execution of these programs is often deferred to a system-specific implementation. Here, we develop the QIR Execution Engine (QIR-EE) for parsing, interpreting, and executing QIR across multiple hardware platforms. QIR-EE uses LLVM to execute hybrid instructions specifying quantum programs and, by design, presents extension points that support customized runtime and hardware environments. We demonstrate an implementation that uses the XACC quantum hardware-accelerator library to dispatch prototypical quantum programs on different commercial quantum platforms and numerical simulators, and we validate execution of QIR-EE on IonQ, Quantinuum, and IBM hardware. Our results highlight the efficiency of hybrid executable architectures for handling mixed instructions, managing mixed data, and integrating with quantum computing frameworks to realize cross-platform execution.

LLVM↗

DOE OSTI2024

Large language model evaluation for high–performance computing software development

We apply AI-assisted large language model (LLM) capabilities of GPT-3 targeting high-performance computing (HPC) kernels for (i) code generation, and (ii) auto-parallelization of serial code in C ++, Fortran, Python and Julia. Our scope includes the following fundamental numerical kernels: AXPY, GEMV, GEMM, SpMV, Jacobi Stencil, and CG, and language/programming models: (1) C++ (e.g., OpenMP [including offload], OpenACC, Kokkos, SyCL, CUDA, and HIP), (2) Fortran (e.g., OpenMP [including offload] and OpenACC), (3) Python (e.g., numpy, Numba, cuPy, and pyCUDA), and (4) Julia (e.g., Threads, CUDA.jl, AMDGPU.jl, and KernelAbstractions.jl). Kernel implementations are generated using GitHub Copilot capabilities powered by the GPT-based OpenAI Codex available in Visual Studio Code given simple + + prompt variants. To quantify and compare the generated results, we propose a proficiency metric around the initial 10 suggestions given for each prompt. For auto-parallelization, we use ChatGPT interactively giving simple prompts as in a dialogue with another human including simple “prompt engineering” follow ups. Results suggest that correct outputs for C++ correlate with the adoption and maturity of programming models. For example, OpenMP and CUDA score really high, whereas HIP is still lacking. We found that prompts from either a targeted language such as Fortran or the more general-purpose Python can benefit from adding language keywords, while Julia prompts perform acceptably well for its Threads and CUDA.jl programming models. Finally, we expect to provide an initial quantifiable point of reference for code generation in each programming model using a state-of-the-art LLM. Overall, understanding the convergence of LLMs, AI, and HPC is crucial due to its rapidly evolving nature and how it is redefining human-computer interactions.

97 MATHEMATICS AND COMPUTING↗