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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.

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At least 91 records · Page 5

Computational Offload with BlueField Smart NICs

The recent introduction of a new generation of "smart NICs" have provided new accelerator platforms that include CPU cores or reconfigurable fabric in addition to traditional networking hardware and packet offloading capabilities. While there are currently several proposals for using these smartNICs for low-latency, in-line packet processing operations, there remains a gap in knowledge as to how they might be used as computational accelerators for traditional high-performance applications. This work aims to look at benchmarks and mini-applications to evaluate possible benefits of using a smartNIC as a compute accelerator for HPC applications. We investigate NVIDIA's current-generation BlueField-2 card, which includes eight Arm CPUs along with a small amount of storage, and we test the networking and data movement performance of these cards compared to a standard Intel server host. We then detail how two different applications, YASK and miniMD can be modified to make more efficient use of the BlueField-2 device with a focus on overlapping computation and communication for operations like neighbor building and halo exchanges. Our results show that while the overall compute performance of these devices is limited, using them with a modified miniMD algorithm allows for potential speedups of 5 to 20% over the host CPU baseline with no loss in simulation accuracy.

97 MATHEMATICS AND COMPUTING↗

Network Reduction Algorithm for Developing Distribution Feeders for Real-Time Simulators: Preprint

As advanced grid-support functions (AGF) become more widely used in grid-connected photovoltaic (PV) inverters, utilities are increasingly interested in their impacts when implemented in the field. These effects can be understood by modeling feeders in real-time systems and testing PV inverters using power hardware-in-the-loop (PHIL) techniques. This paper presents a novel feeder model reduction algorithm using a Monte Carlo method that enables large feeders to be solved and operated on real-time computing platforms. Two Hawaiian Electric feeder models in Synergi Electric's load flow software were converted to reduced order models in OpenDSS, and subsequently implemented in the OPAL-RT real-time digital testing platform. Smart PV inverters were added to the real-time model with AGF responses modeled after characterizing commercially available hardware inverters. Finally, hardware inverters were tested in conjunction with the real-time model using PHIL techniques so that the effects of AGFs on the choice feeders could be analyzed.

14 SOLAR ENERGY↗

Randomized Algorithms for Scientific Computing (RASC)

Randomized algorithms have propelled advances in artificial intelligence (AI) and represent a foundational research area in advancing AI for Science. Future advancements in DOE Office of Science priority areas such as climate science, astrophysics, fusion, advanced materials, combustion, and quantum computing all require randomized algorithms for surmounting challenges of complexity, robustness, and scalability. Advances in data collection and numerical simulation have changed the dynamics of scientific research and motivate the need for randomized algorithms. For instance, advances in imaging technologies such as X-ray ptychography, electron microscopy, electron energy loss spectroscopy, or adaptive optics lattice light-sheet microscopy collect hyperspectral imaging and scattering data in terabytes, at breakneck speed enabled by state-of-the-art detectors. The data collection is exceptionally fast compared with its analysis. Likewise, advances in high-performance architectures have made exascale computing a reality and changed the economies of scientific computing in the process. Floating-point operations that create data are essentially free in comparison with data movement. Thus far, most approaches have focused on creating faster hardware. Ironically, this faster hardware has exacerbated the problem by making data still easier to create. Under such an onslaught, scientists often resort to heuristic deterministic sampling schemes (e.g., low-precision arithmetic, sampling every nth element) and sacrifice potentially valuable accuracy. Dramatically better results can be achieved via randomized algorithms, reducing the data size as much as or more than naive deterministic subsampling can achieve, while retaining the high accuracy of computing on the full data set. By randomized algorithms we mean those algorithms that employ some form of randomness in internal algorithmic decisions to accelerate time to solution, increase scalability, or improve reliability. Examples include matrix sketching for solving large-scale least-squares problems (see Figure 1) and stochastic gradient descent for training machine learning models. We are not recommending heuristic methods but rather randomized algorithms that have certificates of correctness and probabilistic guarantees of optimality and near-optimality. Such approaches can be useful beyond acceleration, for example, in understanding how to avoid measure zero worst-case scenarios that plague methods such as QR matrix factorization.

97 MATHEMATICS AND COMPUTING↗

Portable Radiation Package (PRP) Instrument Handbook

The Portable Radiation Package (PRP) was developed to provide basic radiation information in locations such as ships at sea where proper exposure is remote and difficult, the platform is in motion, and azimuth alignment is not fixed. Development of the PRP began at Brookhaven National Laboratory (BNL) in the mid-1990s and versions of it were deployed on ships in the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility’s Nauru-99 project. The PRP was deployed on ships in support of the National Aeronautics and Space Administration (NASA) Sensor Intercomparison for Marine Biological and Interdisciplinary Ocean Studies (SIMBIOS) program. Over the years the measurements have remained the same while the post-processing data analysis, especially for the FRSR, has evolved. This document describes the next-generation Portable Radiation Package (PRP2) that was developed for the DOE ARM Facility, under contract no. 9F-31462 from Argonne National Laboratory (ANL). The PRP2 has the same scientific principles that were well validated in prior studies, but has upgraded electronic hardware. The PRP2 approach is completely modular, both in hardware and software. Each sensor input is treated as a separate serial stream into the data collection computer. In this way the operator has complete access to each component of the system for purposes of error checking, calibration, and maintenance. The resulting system is more reliable, easier to install in complex situations, and more amenable to upgrade.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

PREDICTION OF CYCLIC VARIABILITY AND KNOCK-LIMITED SPARK ADVANCE (KLSA) IN SPARK-IGNITION (SI) ENGINE

Engine knock remains one of the major barriers to further improve the thermal efficiency of spark-ignition (SI) engines. SI engine is usually operated at knock-limited spark advance (KLSA) to achieve possibly maximum efficiency with given engine hardware and fuel properties. Co-optimization of fuels and engines is promising to improve engine efficiency, and predictive computational fluid dynamics (CFD) models can be used to facilitate this process. However, cyclic variability of SI engine demands that multi cycle results are required to capture the extreme conditions. In addition, Mach Courant Friedrichs-Lewy (CFL) number of 1 is desired to accurately predict the knock intensity (KI), resulting in unaffordable computational cost. In this study, a new approach to numerically predict KLSA using large Mach CFL of 50 with ten consecutive cycle simulation is proposed. This approach is validated against the experimental data for a boosted SI engine at multiple loads and spark timings with good agreements in terms of cylinder pressure, combustion phasing, and cyclic variation. Engine knock is predicted with early spark timing, indicated by significant pressure oscillation and end-gas heat release. Maximum amplitude of pressure oscillation analysis is performed to quantify the KI, and the slope change point in KI extrema is used to indicate the KLSA accurately. Using a smaller Mach CFL number of 5 also results in the same conclusions, thus demonstrating that this approach is insensitive to the Mach CFL number. The use of large Mach CFL number allows us to achieve fast turn-around time for multicycle engine CFD simulations.

CCV↗

Software Framework for Federated Science Instruments

There is an unprecedented promise of enhanced capabilities for federations of leadership computing systems and experimental science facilities by leveraging software technologies for fast and efficient operations. These federations seek to unify different science instruments, both computing and experimental, to effectively support science users and operators to execute complex workflows. The FedScI project addresses the software challenges associated with the formation and operation of federated environments by leveraging recent advances in containerization of software and softwarization of hardware. We propose a software framework to streamline the federation usage by science users and it’s provisioning and operations by facility providers. A distinguishing element of our work is the support for improved interaction between experimental devices, such as beam-line instruments, and more traditional high-performance computing resources, including compute, network, storage systems. We present guiding principles for the software framework and highlight portions of a current prototype implementation. We describe our science use case involving neutron imaging beam-lines (SNAP/BL-3, Imaging/CG-1D) at the Spallation Neutron Source and High Flux Isotope Reactor facilities at Oak Ridge National Laboratory. Additionally, we detail plans for a more direct instrument interaction within a federated environment, which could enable more advanced workflows with feedback loops to shorten the time to science.

Naughton III, Thomas↗

A Robust Method to Secure Multi-Inverter Grid Tied PV and Battery Energy Storage Systems Against Cyber Intrusions

This paper details a robust method to secure a multi-inverter grid tied system that interfaces photovoltaic (PV) and battery energy storage against potential cyber-attacks. The method can be applied to any third-party inverter systems without a need to modify their internal controls. A small random private excitation signal termed "watermark" is injected into the DC input voltage terminals (via a series transformer) connected to the PV/battery inverter system. An external robust cyber intrusion detector (CID) hardware consisting of a digital signal processor (DSP) generates the "watermark" and also receives the sensor signals that control the setpoints of the PV/battery grid tied system. The CID algorithm is shown to detect all possible cyber intrusions (such as false data injection(FDI)) on external sensor signals such as P and Q measured by a smart meter that control the overall system operation. The proposed CID computes online system ID and two variance tests in real time on each sensor signal and is able pinpoint intrusion location in a multi-inverter system. Results on a hardware in the loop (HIL) of a two-inverter grid connected system demonstrate effectiveness of the proposed CID system for FDI and unobservable FDI. Test results on a laboratory prototype will be discussed in the conference presentation.

Ibrahim, Hasan↗

VTK-m: Visualization for the Exascale Era and Beyond

A recent trend in modern high-performance computing is the increasing use of hybrid architectures, where the vast majority of performance comes from accelerators. Modern accelerators are based on Graphics Processing Units (GPU) that contain many low power cores that in their aggregate provides an extremely high computation rate. Current and future CPU processors are requiring more explicit parallelism as each successive version of the hardware packs in more cores, and technologies like hyperthreading and vector operations require even more parallel processing to leverage each core’s full potential. As an example, the Frontier supercomputer installed at Oak Ridge National Laboratories recently hit a record breaking 1.1 exaflops1 on the LINPACK HPC benchmark [Shoemaker 2022]. The system contains 37632 AMD MI250x GPUs which requires more than half a billion threads to keep the system fully utilized [Khizeran 2022].VTK-m is a toolkit of scientific visualization algorithms for these emerging processor architectures. VTK-m supports the fine-grained concurrency for data analysis and visualization algorithms required to drive extreme scale computing by providing abstract models for data and execution that can be applied to a variety of algorithms across many different processor architectures.

Bolstad, Mark↗

Control and Information Systems for the National Ignition Facility

Orchestration of every National Ignition Facility (NIF) shot cycle is managed by the Integrated Computer Control System (ICCS), which uses a scalable software architecture running code on more than 1950 front-end processors, embedded controllers, and supervisory servers. The ICCS operates laser and industrial control hardware containing 66 000 control and monitor points to ensure that all of NIF’s laser beams arrive at the target within 30 ps of each other and are aligned to a pointing accuracy of less than 50 μm root-mean-square, while ensuring that a host of diagnostic instruments record data in a few billionths of a second. NIF’s automated control subsystems are built from a common object-oriented software framework that distributes the software across the computer network and achieves interoperation between different software languages and target architectures. A large suite of business and scientific software tools supports experimental planning, experimental setup, facility configuration, and post-shot analysis. Standard business services using open-source software, commercial workflow tools, and database and messaging technologies have been developed. An information technology infrastructure consisting of servers, network devices, and storage provides the foundation for these systems. Thus, this work is an overview of the control and information systems used to support a wide variety of experiments during the National Ignition Campaign.

42 ENGINEERING↗

Neuromorphic Computing for Autonomous Racing

Neuromorphic computing has many opportunities in future autonomous systems, especially those that will operate at the edge. However, there are relatively few demonstrations of neuromorphic implementations on real-world applications, partly because of the lack of availability of neuromorphic hardware and software, but also because of the lack of availability of an accessible demonstration platform. In this work, we propose utilizing the F1Tenth platform as an evaluation task for neuromorphic computing. F1Tenth is a competition wherein one tenth scale cars compete in an autonomous racing task; there are significant open source resources in both software and hardware for realizing this task. We present a workflow with neuromorphic hardware, software, and training that can be used to develop a spiking neural network for neuromorphic hardware deployment to perform autonomous racing. We present initial results on utilizing this approach for this small-scale, real-world autonomous vehicle task.

Patton, Robert↗

A matrix-free hyperviscosity formulation for high-order ALE hydrodynamics

The numerical approximation of compressible hydrodynamics is at the core of high-energy density (HED) multiphysics simulations as shocks are the driving force in experiments like inertial confinement fusion (ICF). In this work, we describe our extension of the hyperviscosity technique, originally developed for shock treatment in finite difference simulations, for use in arbitrarily high-order finite element methods for Lagrangian hydrodynamics. Hyperviscosity enables shock capturing while preserving the high-order properties of the underlying discretization away from the shock region. Specifically, we compute a high-order term based on a product of the mesh length scale to a high power scaled by a hyper-Laplacian operator applied to a scalar field. We then form the total artificial viscosity by taking a non-linear blend of this term and a traditional artificial viscosity term. We also present a matrix-free formulation for computing the finite element based hyper-Laplacian operator. Such matrix-free methods have superior performance characteristics compared to traditional full matrix assembly approaches and offer advantages for GPU based HPC hardware. We demonstrate the numerical convergence of our method and its application to complex, multi-material ALE simulations on high-order (curved) meshes.

97 MATHEMATICS AND COMPUTING↗

Reconfigurable Cascaded Thermal Neuristors for Neuromorphic Computing

While the complementary metal-oxide semiconductor (CMOS) technology is the mainstream for the hardware implementation of neural networks, an alternative route is explored based on a new class of spiking oscillators called “thermal neuristors”, which operate and interact solely via thermal processes. Utilizing the insulator-to-metal transition (IMT) in vanadium dioxide, a wide variety of reconfigurable electrical dynamics mirroring biological neurons is demonstrated. Notably, inhibitory functionality is achieved just in a single oxide device, and cascaded information flow is realized exclusively through thermal interactions. To elucidate the underlying mechanisms of the neuristors, a detailed theoretical model is developed, which accurately reflects the experimental results. In conclusion, this study establishes the foundation for scalable and energy-efficient thermal neural networks, fostering progress in brain-inspired computing.

36 MATERIALS SCIENCE↗

Modular Subsurface Sensors and Integrated Software for Advanced Subsurface Characterization and Monitoring using Unoccupied Vehicles

The advent and subsequent proliferation of autonomous airborne, waterborne, and groundbased vehicles (i.e., “drones”) promises to broadly transform the geosciences and associated industries, including fossil energy exploration and development, mineral resource exploration and development, water-resource management, and environmental remediation. For geophysical characterization and monitoring, the prospect of programming highly repeatable and low-cost drone missions for subsurface imaging will allow for deployments in hazardous and previously inaccessible areas. Coupled with autonomous workflows for data processing, management, and visualization, drone-based geophysical characterization and monitoring will enable unprecedented, real-time insight into diverse subsurface properties and processes of scientific and engineering importance. Toward this end, the objectives of this Lab Directed Research and Development (LDRD) project were to develop new (1) instrumentation for dronebased electromagnetic induction (EMI) geophysical imaging, including separated transmitter and receivers and associated electronics, (2) software for real-time data telemetry, processing, management, and visualization. Although EMI has been previously deployed using unoccupied aerial systems (UASs), these applications failed to capitalize on the game-changing capabilities of drone platforms. Whereas drone-based data acquisition allows for collection of rich, three-dimensional (3D) multi-offset/multi-angle configurations between transmitters and receivers, past efforts have relied on conventional instrumentation that was designed for ground-based data collection with the transmitter and a single receiver housed in the same unit; nor did these previous applications demonstrate real-time delivery of results to support rapid management decisions in the field. In this 1-year project, we (1) designed and constructed new lightweight independent transmitter and receiver antenna platforms that communicate with a laptop computer; (2) developed software to control data acquisition, manage/transfer data, and visualize data as its collected; and (3) demonstrated the operation of the new hardware and software systems in a ground-based field test. Our work entails major technological advances for EMI and established a foundation on which to build a new drone-based, real-time geophysical EMI imaging capability to support diverse challenges facing the nation.

47 OTHER INSTRUMENTATION↗

Tunable stochastic memristors for energy-efficient encryption and computing

Information security and computing, two critical technological challenges for post-digital computation, pose opposing requirements – security (encryption) requires a source of unpredictability, while computing generally requires predictability. Each of these contrasting requirements presently necessitates distinct conventional Si-based hardware units with power-hungry overheads. This work demonstrates Cu 0.3 Te 0.7 /HfO 2 (‘CuTeHO’) ion-migration-driven memristors that satisfy the contrasting requirements. Under specific operating biases, CuTeHO memristors generate truly random and physically unclonable functions, while under other biases, they perform universal Boolean logic. Using these computing primitives, this work experimentally demonstrates a single system that performs cryptographic key generation, universal Boolean logic operations, and encryption/decryption. Circuit-based calculations reveal the energy and latency advantages of the CuTeHO memristors in these operations. This work illustrates the functional flexibility of memristors in implementing operations with varying component-level requirements.

97 MATHEMATICS AND COMPUTING↗

Test Points for Online Monitoring of Quantum Circuits

Noisy Intermediate-Scale Quantum (NISQ) computers consisting of tens of inherently noisy quantum bits (qubits) suffer from reliability problems. Qubits and their gates are susceptible to various types of errors. Due to limited numbers of qubits and high error rates, quantum error correction cannot be applied. Physical constraints of quantum hardware including the error rates are used to guide the design and the layout of quantum circuits. The error rates determine the selection of qubits and their operations. The resulting circuit is executed on the quantum computer. This study explores the risk of unexpected changes in the error rates of NISQ computers post-calibration. We show that unexpected changes in error rates can alter the output state of a quantum circuit. To detect these changes, we propose the insertion of test points into the quantum circuit to enable online monitoring of the physical qubit behavior. We utilize classical, superposition, and uncompute test points. Furthermore, we use a gate error coverage metric to assess the quality of the tests. We verify the effectiveness of the proposed scheme on different IBM quantum computers (IBM Q), in addition to a noisy simulation that shows the scalability of the proposed approach.

97 MATHEMATICS AND COMPUTING↗

Flexible Pilot Jobs Framework for Distributed High Throughput Computing

Experimental particle physics has been at the forefront of analyzing the world’s largest datasets for decades. The high-energy physics (HEP) community was among the first to develop suitable software and computing tools for this purpose. GlideinWMS is a Glidein-based workload management system whose purpose is to provide experiments like CMS at CERN, DUNE at Fermilab, and others, a way to access and efficiently use vast amounts of computing resources. This system wants to provide a simple way to submit jobs to a set of computing resources, that will be provided to users behind the scenes. Glideins are the pilot jobs executed on the worker nodes at the grid sites, performing operations such as hardware detection, environment setup, and error handling. After all these operations, they will launch the actual user job. Many grid sites are supported, such as shared clusters, Google CE, and AWS. My internship aimed to design and code a flexible pilot jobs framework that will replace the one used by GlideinWMS, developing a modular and flexible skeleton of the Glidein and adding further functionalities. My project also focused on the application of machine learning techniques as support to this management system.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

XPRESS: eXascale PRogramming Environment and System Software

The XPRESS project is the research and development of a complete software architecture for Exascale computing. The four major R&D thrusts include: 1) an Exascale lightweight kernel operating system (LXK), based on the Kitten operating system (OS), to manage billion way hardware parallelism, management of faults and power, management of global virtual name space, and other features of future system architectures; 2) a runtime system (HPX-5), co-designed with LXK, based on the ParalleX execution model that supports dynamic resource management and task scheduling; 3) system interfaces for interoperability between the runtime system and both the OS and the runtime system (RIOS); 4) compilation strategies and systems to translate MPI and OpenMP legacy codes to a form that can be run with performance at least as good as a native code implementation. The software architecture development has been driven by performance evaluation of mini-applications developed at Department of Energy Co-Design Centers as well as ancillary in-house developed applications and benchmarks. Research on the ParalleX execution model has been driven by the development of formal semantics and model checkers for the execution model. The major components of the software architecture are: ParalleX execution model – guiding principles for co-design of components of the system stack with advances in locality management and task prioritization through introspection; HPX runtime system – support of application dynamic adaptive resource management, task scheduling, and introspective control policies; LXK operating system – lightweight kernel operating system for order-constant scalability and low/no noise to manage resources; RIOS – a realm of Exascale system operation unique in the XPRESS project that includes the relationship between the new generation of lightweight kernel operating systems and runtime system software; XPI advanced programming model – intermediate form and low-level (readable) programming interface reflecting the ParalleX model, providing a target for source-to- source high level parallel language translation, and supporting early direct programming experimentation and measurement; Performance models & metrics – providing parameters and their mutual sensitivities to guide co-design and quantify operational behavior; Legacy migration – ensuring seamless transition of legacy codes and programming methods to the future generation of ParalleX-based Exascale systems; . Experiments and evaluation – critical to determining degree of effectiveness and likelihood of ultimate success as well as guiding corrective design changes to achieve DOE objectives; and Applications – collaborations with Co-Design Centers and other mission critical codes. The exemplar implementation of the ParalleX execution model, HPX-5, has been released along with five fully ported applications (LULESH, HPCG, SSSP, WAMR, and DASHMM) and multiple microbenchmarks. Using these applications, the system architecture demonstrated dynamic load balancing through active migration, legacy code migration, and data-driven approaches to for graph-like applications. Crucially for Exascale and billion way parallelism, the needs and patterns of irregular applications in HPX-5 were addressed using local flow control rather than relying on globally synchronized data structures.

97 MATHEMATICS AND COMPUTING↗

Ume: Unstructured Mesh Explorations

Ume is an open-source collection of data structures for unstructured computational meshes and some simple algorithms that operate on them. These algorithms mimic the memory access patterns of a common class of operations found in several of the computational physics simulation codes developed at Los Alamos National Laboratory. The intent is that Ume can be used by hardware vendors to understand the memory traffic created by complex codes in a simplified environment, and to explore new means of optimization for that traffic. Ume is provided as a source-code C++ library and includes several applications that demonstrate the use of that library.

Henning, Paul↗