VnV: A Self Documenting Testing Framework for In-situ Verification and Validation in High Performance Computing Applications
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INL HPC team provided updates related to the INL HPC program and HPC systems for HPC User Group Quarterly Review - December 10, 2025
INL HPC team provided updates related to the INL HPC program and HPC systems for HPC User Group Quarterly Review - March 11, 2026
The next major milestone in high performance computing is a sustained rate of one Pflop/s (also written one petaflops, or 10(circumflex)15 floating-point operations per second). In addition to prodigiously high computational performance, such systems must of necessity feature very large main memories, as well as comparably high I/O bandwidth and huge mass storage facilities. The current consensus of scientists who have studied these issues is that "affordable" petaflops systems may be feasible by the year 2010, assuming that certain key technologies continue to progress at current rates. One important question is whether applications can be structured to perform efficiently on such systems, which are expected to incorporate many thousands of processors and deeply hierarchical memory systems. To answer these questions, advanced performance modeling techniques, including simulation of future architectures and applications, may be required. It may also be necessary to formulate "latency tolerant algorithms" and other completely new algorithmic approaches for certain applications. This talk will give an overview of these challenges.
High Performance Spacecraft Computing (HPSC) is a joint project between the National Aeronautics and Space Administration (NASA) and Air Force Research Lab (AFRL) to develop a high-performance multi-core radiation hardened flight processor. HPSC offers a new flight computing architecture to meet the needs of NASA missions through 2030 and beyond. Providing on the order of 100X the computational capacity of current flight processors for the same amount of power, the multicore architecture of the HPSC processor, or "Chiplet" provides unprecedented flexibility in a flight computing system by enabling the operating point to be set dynamically, trading among needs for computational performance, energy management and fault tolerance. The HPSC Chiplet is being developed by Boeing under contract to NASA, and is expected to provide prototypes, an evaluation board, system emulators, comprehensive system software, and a software development kit. In addition to the vendor deliverables, the AFRL is funding the development of a flexible Middleware to be developed by NASA Jet Propulsion Laboratory and NASA Goddard Space Flight Center. The HPSC Middleware provides a suite of thirteen high level services to manage the compute, memory and I/O resources of this complex device.This presentation will provide an HPSC project update, an overview of the latest HPSC System Software release, an overview of HPSC Middleware Release 2, and a preview of the third HPSC Middleware release. The presentation will begin with a project update that will provide a look at the high-level changes since the project was introduced at the Flight Software Workshop last year. Next, the presentation will provide an overview of the current suite of HPSC System Software which includes the vendor provided bootloaders, operating systems, emulator, and development tools. Next, the HPSC Middleware progress will be presented, which includes an overview of the features and capabilities of HPSC Middleware Release 2, followed by a look at the reference flight software applications which utilize the Middleware. Finally, the presentation will give a preview of the HPSC Middleware Release 3.
High Performance Spacecraft Computing (HPSC) is a joint project between the National Aeronautics and Space Administration (NASA) and Air Force Research Lab (AFRL) to develop a high-performance multi-core radiation hardened flight processor. HPSC offers a new flight computing architecture to meet the needs of NASA missions through 2030 and beyond. Providing on the order of 100X the computational capacity of current flight processors for the same amount of power, the multicore architecture of the HPSC processor, or "Chiplet" provides unprecedented flexibility in a flight computing system by enabling the operating point to be set dynamically, trading among needs for computational performance, energy management and fault tolerance. The HPSC Chiplet is being developed by Boeing under contract to NASA, and is expected to provide prototypes in 2021. The HPSC Chiplet prototypes will be delivered with an evaluation board, system emulators, comprehensive system software, and a software development kit. In addition to the vendor deliverables, the AFRL is funding the development of a flexible Middleware to be developed by NASA Jet Propulsion Laboratory and NASA Goddard Space Flight Center. The HPSC Middleware provides a suite of thirteen high level services to manage the compute, memory and I/O resources of this complex device.This presentation will provide an overview of the HPSC project, including a hardware overview, system software overview, Middleware overview, and mission use cases. The hardware overview will provide a look at the 8 core High Performance Processing Subsystem (HPPS), the Real Time Processing Subsystem (RTPS), the Chiplet Configuration Management Subsystem, on chip peripherals, and high speed I/O. The system software overview will introduce the boot loaders, operating systems, device drivers, and software development environment. The Middleware overview will provide insight into the high-level services that will be provided to help mission developers manage the many resources and configurations made possible with the Chiplet. Finally, the presentation will provide a brief look at the mission use cases that can be enabled with this next generation architecture.
The Intelligent Synthesis Environment (ISE), which is one of the major strategic technologies under development at NASA centers and the University of Virginia, is described. One of the major objectives of ISE is to significantly enhance the rapid creation of innovative affordable products and missions. ISE uses a synergistic combination of leading-edge technologies, including high performance computing, high capacity communications and networking, human-centered computing, knowledge-based engineering, computational intelligence, virtual product development, and product information management. The environment will link scientists, design teams, manufacturers, suppliers, and consultants who participate in the mission synthesis as well as in the creation and operation of the aerospace system. It will radically advance the process by which complex science missions are synthesized, and high-tech engineering Systems are designed, manufactured and operated. The five major components critical to ISE are human-centered computing, infrastructure for distributed collaboration, rapid synthesis and simulation tools, life cycle integration and validation, and cultural change in both the engineering and science creative process. The five components and their subelements are described. Related U.S. government programs are outlined and the future impact of ISE on engineering research and education is discussed.
The High Performance Spaceflight Computing (HPSC) project is dramatically advancing the state of the art for spaceflight computing, providing both increased performance and greater operational flexibility. Initial studies derived an reference architecture for the HPSC Chiplet, and this has evolved as development has progress. NASA and JPL are jointly developing HPSC Middleware to ease the development of future applications for the Chiplet. Several NASA use cases are identified for HPSC, ranging from smallsats to crewed missions.
The High Performance Spaceflight Computing (HPSC) multi-core processor Chiplet will provide a nearly two orders-of-magnitude improvement above the current state of the art for spaceflight processors, while also providing an unprecedented flexibility to tailor performance, power consumption, and fault tolerance to meet widely varying mission needs. These advancements will provide game changing improvements in computing performance, power efficiency, and flexibility, which will significantly improve the onboard processing capabilities of future NASA and Air Force space missions. HPSC is funded by NASA's Space Technology Mission Directorate (STMD), Science Mission Directorate (SMD), and the United States Air Force. The HPSC project is managed by Jet Propulsion Laboratory, and the HPSC contract is managed by NASA Goddard Space Flight Center (GSFC). Within the HPSC project, Boeing is under contract to NASA to develop prototype Chiplets, system software, and evaluation boards. As another development within the project, NASA Goddard Space Flight Center (GSFC) and the Jet Propulsion Laboratory (JPL) are developing middleware that will simplify application development for HPSC-based onboard processors.
Spaceflight computing is a key resource in NASA space missions and a core determining factor of spacecraft capability, with ripple effects throughout the spacecraft, end-to-end system, and the mission; it can be aptly viewed as a "technology multiplier" in that advances in onboard computing provide dramatic improvements in flight functions and capabilities across the NASA mission classes, and will enable new flight capabilities and mission scenarios, increasing science and exploration return per mission-dollar.
Quantum computing (QC) is an emerging computational paradigm that leverages the laws of quantum mechanics to perform elementary logic operations. Existing programming models for QC were designed with fault-tolerant hardware in mind, envisioning stand-alone applications. However, the susceptibility of near-term quantum computers to noise limits their stand-alone utility. To better leverage limited computational strengths of noisy quantum devices, hybrid algorithms have been suggested whereby quantum computers are used in tandem with their classical counterparts in a heterogeneous fashion. This modus operandi calls out for a programming model and a high-level programming language that natively and seamlessly supports heterogeneous quantum-classical hardware architectures in a single-source-code paradigm. Motivated by the lack of such a model, we introduce a language extension specification, called QCOR, which enables single-source quantum-classical programming. Programs written using the QCOR library–based language extensions can be compiled to produce functional hybrid binary executables. After defining QCOR’s programming model, memory model, and execution model, we discuss how QCOR enables variational, iterative, and feed-forward QC. Additionally, QCOR approaches quantum-classical computation in a hardware-agnostic heterogeneous fashion and strives to build on best practices of high-performance computing. The high level of abstraction in the language extension is intended to accelerate the adoption of QC by researchers familiar with classical high-performance computing.
Execution of heterogeneous workflows on high-performance computing (HPC) platforms present unprecedented resource management and execution coordination challenges for runtime systems. Task heterogeneity increases the complexity of resource and execution management, limiting the scalability and efficiency of workflow execution. Re-source partitioning and distribution of tasks execution over portioned re-sources promises to address those problems but we lack an experimental evaluation of its performance at scale. Here this paper provides a performance evaluation of the Process Management Interface for Exascale (PMIx) and its reference implementation PRRTE on the leadership-class HPC plat-form Summit, when integrated into a pilot-based runtime system called RADICAL-Pilot. We partition resources across multiple PRRTE Distributed Virtual Machine (DVM) environments, responsible for launching tasks via the PMIx interface. We experimentally measure the work-load execution performance in terms of task scheduling/launching rate and distribution of DVM task placement times, DVM startup and termination overheads on the Summit leadership-class HPC platform. Integrated solution with PMIx/PRRTE enables using an abstracted, standardized set of interfaces for orchestrating the launch process, dynamic process management and monitoring capabilities. It extends scaling capabilities allowing to overcome a limitation of other launching mechanisms (e.g., JSM/LSF). Explored different DVM setup configurations provide insights on DVM performance and a layout to leverage it. Our experimental results show that heterogeneous workload of 65,500 tasks on 2048 nodes, and partitioned across 32 DVMs, runs steady with resource utilization not lower than 52%. While having less concurrently executed tasks resource utilization is able to reach up to 85%, based on results of heterogeneous workload of 8200 tasks on 256 nodes and 2 DVMs.
At the National Renewable Energy Laboratory (NREL)—a U.S. Department of Energy laboratory—computational science, high-performance computing, applied mathematics, advanced computer science, visualization, and data play a pivotal role in advancing energy abundance, affordability, security, and reliability. From fundamental scientifc discovery to systems engineering and analysis, NREL researchers tackle market-relevant challenges to develop solutions for an independent energy system that is reliable, resilient and secure. Collaborative partnerships with industry, government, and academia ensure that our research remains cutting edge, impactful, applicable, and aligned with real-world energy needs. This special issue of Computing in Science & Engineering highlights exemplary NREL projects where computational tools and methodologies drive discovery and accelerate innovation in scalable and integrated energy systems. The featured articles explore the role of computational modeling, high-performance computing, generative AI, and adaptive computing in advancing independent energy solutions, optimizing sustainability research, and enhancing decision-making for energy solutions using a broad mix of energy technologies. Here, these contributions demonstrate how NREL’s computational research bridges the gap between theoretical advancements and practical implementation, emphasizing interdisciplinary collaboration and a commitment to innovation, with a focus on translating computational excellence into real-world impact, thus accelerate progress toward national energy goals. By showcasing cutting-edge research at the intersection of computational science and energy systems, this issue aims to inspire and inform researchers, practitioners, and policymakers dedicated to shaping a more reliable energy future.
With the growing complexity of computational and experimental facilities, many scientific researchers are turning to machine learning (ML) techniques to analyze large scale ensemble data. With complexities such as multi-component workflows, heterogeneous machine architectures, parallel file systems, and batch scheduling, care must be taken to facilitate this analysis in a high performance computing (HPC) environment. Here, we present Merlin, a workflow framework to enable large ML-friendly ensembles of scientific HPC simulations. By augmenting traditional HPC with distributed compute technologies, Merlin aims to lower the barrier for scientific subject matter experts to incorporate ML into their analysis. As a producer–consumer workflow model, Merlin enables multi-machine, cross-batch job, dynamically allocated yet persistent workflows capable of utilizing surge-compute resources. Key features of Merlin are a flexible HPC-centric interface, low per-task overhead, multi-tiered fault recovery, and a hierarchical sampling algorithm that allows for $\mathscr{O}$(N) task execution and $\mathscr{O}$(N ln N) task queuing to ensembles of millions of tasks. In addition to Merlin’s design, we test the algorithm’s performance in an HPC center and demonstrate the ability to enqueue 40 million simulations in 100 s, with a 30 millisecond per-task overhead that is independent of ensemble size. Finally, we describe some example applications that Merlin has enabled on leadership-class HPC resources, such as the ML-augmented optimization of nuclear fusion experiments and the calibration of infectious disease models to study the progression of and possible mitigation strategies for COVID-19.
The high performance computing (HPC) community has shown tremendous interest in exploring cloud computing as it promises high potential. In this paper, we examine the feasibility, performance, and scalability of production quality scientific and engineering applications of interest to NASA on NASA's cloud computing platform, called Nebula, hosted at Ames Research Center. This work represents the comprehensive evaluation of Nebula using NUTTCP, HPCC, NPB, I/O, and MPI function benchmarks as well as four applications representative of the NASA HPC workload. Specifically, we compare Nebula performance on some of these benchmarks and applications to that of NASA s Pleiades supercomputer, a traditional HPC system. We also investigate the impact of virtIO and jumbo frames on interconnect performance. Overall results indicate that on Nebula (i) virtIO and jumbo frames improve network bandwidth by a factor of 5x, (ii) there is a significant virtualization layer overhead of about 10% to 25%, (iii) write performance is lower by a factor of 25x, (iv) latency for short MPI messages is very high, and (v) overall performance is 15% to 48% lower than that on Pleiades for NASA HPC applications. We also comment on the usability of the cloud platform.
At a recent press conference, NASA Administrator Dan Goldin encouraged NASA Ames Research Center to take a lead role in promoting research and development of advanced, high-performance computer technology, including nanotechnology. Manufacturers of leading-edge microprocessors currently perform large-scale simulations in the design and verification of semiconductor devices and microprocessors. Recently, the need for this intensive simulation and modeling analysis has greatly increased, due in part to the ever-increasing complexity of these devices, as well as the lessons of experiences such as the Pentium fiasco. Simulation, modeling, testing, and validation will be even more important for designing molecular computers because of the complex specification of millions of atoms, thousands of assembly steps, as well as the simulation and modeling needed to ensure reliable, robust and efficient fabrication of the molecular devices. The software for this capacity does not exist today, but it can be extrapolated from the software currently used in molecular modeling for other applications: semi-empirical methods, ab initio methods, self-consistent field methods, Hartree-Fock methods, molecular mechanics; and simulation methods for diamondoid structures. In as much as it seems clear that the application of such methods in nanotechnology will require powerful, highly powerful systems, this talk will discuss techniques and issues for performing these types of computations on parallel systems. We will describe system design issues (memory, I/O, mass storage, operating system requirements, special user interface issues, interconnects, bandwidths, and programming languages) involved in parallel methods for scalable classical, semiclassical, quantum, molecular mechanics, and continuum models; molecular nanotechnology computer-aided designs (NanoCAD) techniques; visualization using virtual reality techniques of structural models and assembly sequences; software required to control mini robotic manipulators for positional control; scalable numerical algorithms for reliability, verifications and testability. There appears no fundamental obstacle to simulating molecular compilers and molecular computers on high performance parallel computers, just as the Boeing 777 was simulated on a computer before manufacturing it.
High Performance Computing (HPC) is an important method for scientific discovery via large-scale simulation, data analysis, or artificial intelligence. Leadership-class supercomputers are expensive, but essential to run large HPC applications. The Petascale era of supercomputers began in 2008, with the first machines achieving performance in excess of one petaflops, and with the advent of new supercomputers in 2021 (e.g., Aurora, Frontier), the Exascale era will soon begin. However, the high theoretical computing capability (i.e., peak FLOPS) of a machine is not the only meaningful target when designing a supercomputer, as the resources demand of applications varies. A deep understanding of the characterization of applications that run on a leadership supercomputer is one of the most important ways for planning its design, development and operation. In order to improve our understanding of HPC applications, user demands and resource usage characteristics, we perform correlative analysis of various logs for different subsystems of a leadership supercomputer. This analysis reveals surprising, sometimes counter-intuitive patterns, which, in some cases, conflicts with existing assumptions, and have important implications for future system designs as well as supercomputer operations. For example, our analysis shows that while the applications spend significant time on MPI, most applications spend very little time on file I/O. Combined analysis of hardware event logs and task failure logs show that the probability of a hardware FATAL event causing task failure is low. Combined analysis of control system logs and file I/O logs reveals that pure POSIX I/O is used more widely than higher level parallel I/O. Based on holistic insights of the application gained through combined and co-analysis of multiple logs from different perspectives and general intuition, we engineer features to "fingerprint" HPC applications. We use t-SNE (a machine learning technique for dimensionality reduction) to validate the explainability of our features and finally train machine learning models to identify HPC applications or group those with similar characteristic. To the best of our knowledge, this is the first work that combines logs on file I/O, computing, and inter-node communication for insightful analysis of HPC applications in production.