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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 397 records · Page 22

Relating Oxidative Protein Damage to Antioxidant Status in Health and Disease (Full Technical Report for 24-LW-026)

This two-year project evaluated how dietary antioxidants influence oxidative damage in cancer using complementary analytical and in-vivo approaches. We initially developed a protein oxidation labeling workflow and a parallel accelerator and molecular mass spectrometry (PAMMS) quantification method, but ultimately discontinued the labeling strategy due to unresolved separation challenges; PAMMS was instead leveraged to quantify radiolabeled catechol in rat plasma as a methodological benchmark. The biological study used a genetically engineered murine model (GEMM) for breast cancer (n = 40; four groups of 10: cancer/high antioxidant diet, cancer/normal diet, healthy/high-antioxidant diet, healthy/normal diet). In lieu of the abandoned labeling assay, untargeted metabolomics profiled plasma across groups, revealing widespread treatment-dependent changes in metabolites.

59 BASIC BIOLOGICAL SCIENCES↗

The nondeterministic divide

The nondeterministic divide partitions a vector into two non-empty slices by allowing the point of division to be chosen nondeterministically. Support for high-level divide-and-conquer programming provided by the nondeterministic divide is investigated. A diva algorithm is a recursive divide-and-conquer sequential algorithm on one or more vectors of the same range, whose division point for a new pair of recursive calls is chosen nondeterministically before any computation is performed and whose recursive calls are made immediately after the choice of division point; also, access to vector components is only permitted during activations in which the vector parameters have unit length. The notion of diva algorithm is formulated precisely as a diva call, a restricted call on a sequential procedure. Diva calls are proven to be intimately related to associativity. Numerous applications of diva calls are given and strategies are described for translating a diva call into code for a variety of parallel computers. Thus diva algorithms separate logical correctness concerns from implementation concerns.

Charlesworth, Arthur↗

Analysis of the Value Added When Deploying a Model-Based Approach for the Validation and Verification of the Medical Database Software

The Medical Database (MD) is a virtual repository consisting of two software components: Medical Item Database (MedID) and the Evidence Library (EL). MedID consists of engineering data and associated information for specific medical resource items (e.g., pharmaceutical, medical devices, and supporting components), while the EL is a tool which provides all of the medical evidence necessary. The MD will 1) serve as the single “source of truth” for the Informing Mission Planning via Analysis of Complex Tradespaces (IMPACT) tool suite for both medical evidence and medical resource engineering data and 2) will be used in conjunction with the IMPACT tool suite to inform research prioritizations and perform systematic trade study evaluations to aid stakeholders in making informed decisions regarding simulated human spaceflight missions. The MD project used a Model-Based Systems Engineering (MBSE) approach to support all life cycles of the software development, while in parallel the human factors engineering team used modeling to support Human Centered Design (HCD) strategies in an effort to improve software usability. HCD is a frequently used approach in design frameworks that develops resolutions to complexities and challenges by involving the human perspective in all steps of the problem-solving process. By integrating the model-based approaches used for systems engineering and human factors activities, the project is able to leverage the model-based artifacts originally created for HCD activities for system level and human factors validation. In this presentation, our team highlights the value added when leveraging these model-based artifacts to support the on-going verification and validation activities.

C. Laing↗

A Case for Optimistic Coordination in HPC Storage Systems

High-performance computing (HPC) storage systems rely on access coordination to ensure that concurrent updates do not produce incoherent results. HPC storage systems typically employ pessimistic distributed locking to provide this functionality in cases where applications cannot perform their own coordination. This approach, however, introduces significant performance overhead and complicates fault handling. In this work we evaluate the viability of optimistic conditional storage operations as an alternative to distributed locking in HPC storage systems. We investigate design strategies and compare the two approaches in a prototype object storage system using a parallel read/modify/write benchmark. Our prototype illustrates that conditional operations can be easily integrated into distributed object storage systems and can outperform standard coordination primitives for simple update workloads. Our experiments show that conditional updates can achieve over two orders of magnitude higher performance than pessimistic locking for some parallel read/modify/write workloads.

Carns, Philip↗

Optimal Control Strategy With Efficiency and Reliability Improvement for Offshore DC Microgrids

Offshore microgrids, due to their remote location and lack of external energy support, face significant challenges in wide-range load operation and maintenance. Consequently, efficiency and reliability are critical concerns for converters in offshore dc microgrids. This article presents an optimal control strategy aimed at enhancing both efficiency and reliability. A normalized nonlinear relationship between power loss and thermal stress of a paralleled converter is first established. Based on this, a dual-objective optimization function with an active weight function as well as a system overall performance index is established. The active weight function dynamically adjusts the control priority based on converter efficiency and switching device thermal stress. Then, the optimal power-sharing strategy is derived by the Lagrange multiplier method with the proposed optimal function. Additionally, to accommodate a wide load range, an optimal selection strategy for operating converter combinations is proposed, requiring only low-bandwidth communication. Experiment verification is given to validate the effectiveness of the proposed control strategy. The experiment results demonstrate that the proposed control strategy can improve the overall performance of offshore microgrids by optimizing efficiency and reliability.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Mobility Data and Models Informing Smart Cities

Using emerging data platforms, new mobility technologies, and travel demand models (TDMs), researchers, industry, and communities seek to improve the quality of transportation while maximizing the energy efficiency, equity, and safety of transportation services. As transportation may soon reach over 30% of U.S. energy consumption and with urban areas representing an increasing proportion of the U.S. population (>80% since 2010), a critical need exists to engage in urban data science-informed approaches to enhancing mobility. The objective of this study is to explore and document how aspiring Smart Cities are using data and models to inform mobility and energy initiatives within Smart City programs and in so doing identify gaps in knowledge and processes guiding Smart City mobility investment strategies, programs, projects, and pilots. A primary focus of the Smart Cities studied was the creation of an integrated data sharing environment approach. Most of these systems are being developed in parallel with multiple new data analysis tools, while regional metropolitan planning organizations continue to slowly evolve TDMs to take into account impacts of long-term strategies for emerging mobility technologies and services. Smart City initiatives in the United States have keen interests in leveraging knowledge and research on the mobility benefits and risks of automated, connected, efficient/electric, and shared on-demand mobility services; and understanding the related energy, environmental, economic, and societal impacts of these shifts. The results serve to identify key gaps in data, knowledge, and methods required to advance energy efficient urban mobility innovation, and to enable research and analysis collaboration between Smart Cities and the U.S. Department of Energy's efforts enabling new Systems and Modeling for Accelerated Research in Transportation (SMART) Mobility.

33 ADVANCED PROPULSION SYSTEMS↗

Flexibility and Performance of Parallel File Systems

As we gain experience with parallel file systems, it becomes increasingly clear that a single solution does not suit all applications. For example, it appears to be impossible to find a single appropriate interface, caching policy, file structure, or disk-management strategy. Furthermore, the proliferation of file-system interfaces and abstractions make applications difficult to port. We propose that the traditional functionality of parallel file systems be separated into two components: a fixed core that is standard on all platforms, encapsulating only primitive abstractions and interfaces, and a set of high-level libraries to provide a variety of abstractions and application-programmer interfaces (API's). We present our current and next-generation file systems as examples of this structure. Their features, such as a three-dimensional file structure, strided read and write interfaces, and I/O-node programs, are specifically designed with the flexibility and performance necessary to support a wide range of applications.

Kotz, David↗

Porting hypre to heterogeneous computer architectures: Strategies and experiences

We report that linear systems are occurring in many applications, and solving them can take a large amount of the total simulation time. The high performance library hypre provides a variety of interfaces and linear solvers, including various multigrid methods, that have achieved good scalability on a variety of homogeneous parallel computer architectures. Heterogeneous architectures with nodes that have both CPUs and accelerators provide new challenges, since they require more fine-grained parallelism and reduced data movement between different memories on a single node as well as across nodes. We will discuss our experiences and strategies to port hypre to heterogeneous computers with accelerators, including the design of a new memory model, the use of abstractions, the BoxLoop macros in the structured and semi-structured interfaces, and the restructuring of algebraic multigrid (AMG) into modular components. We present numerical experiments comparing CPU and GPU performance for several test problems.

97 MATHEMATICS AND COMPUTING↗

A parallel dynamic load balancing algorithm for 3-D adaptive unstructured grids

Adaptive local grid refinement and coarsening results in unequal distribution of workload among the processors of a parallel system. A novel method for balancing the load in cases of dynamically changing tetrahedral grids is developed. The approach employs local exchange of cells among processors in order to redistribute the load equally. An important part of the load balancing algorithm is the method employed by a processor to determine which cells within its subdomain are to be exchanged. Two such methods are presented and compared. The strategy for load balancing is based on the Divide-and-Conquer approach which leads to an efficient parallel algorithm. This method is implemented on a distributed-memory MIMD system.

Vidwans, A.↗

Best Practices and Lessons Learned from Deploying and Operating Large-Scale Data-Centric Parallel File Systems, In: SC '14: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis

The Oak Ridge Leadership Computing Facility (OLCF) has deployed multiple large-scale parallel file systems (PFS) to support its operations. During this process, OLCF acquired significant expertise in large-scale storage system design, file system software development, technology evaluation, benchmarking, procurement, deployment, and operational practices. Based on the lessons learned from each new PFS deployment, OLCF improved its operating procedures, and strategies. This paper provides an account of our experience and lessons learned in acquiring, deploying, and operating large-scale parallel file systems. We believe that these lessons will be useful to the wider HPC community.

Computer Science↗

Parallelization of a Parabolized Navier-Stokes Solver with a Design Optimizer

The design of future supersonic aircraft, such as the High Speed Civil Transport (HSCT), will rely heavily on computational methods for aircraft design and the prediction of the complex aerodynamics encountered in flight. Parabolized Navier-Stokes (PNS) equation flow solvers are recognized as efficient and accurate computational tools for the solution of supersonic and hypersonic flow-fields, while design optimizers have the potential to be valuable tools within the overall design process. Presently, however, the execution of the flow solver in conjunction with a design optimizer presents a computationally intensive and formidable problem. To meet the challenges and increasing demand for multidisciplinary numerical tools which are faster, more robust and provide greater functionality, alternative strategies are explored to increase computational throughput by coupling a design optimizer and flow solver in a parallel processing environment. To address this problem the parallel processing of a PNS flow solver with a nonlinear constraint design optimizer is investigated as an alternative computational method.

Pallis, J. M.↗

Hydrocode Development on the Ncube and the Connection Machine Hypercubes [Book Chapter]

Hydrocode simulations constitute an important tool at Sandia National Laboratories and elsewhere for analyzing complex two- and three-dimensional systems. However, current vector supercomputers do not provide a growth path to enable fast, routine, and cost-effective simulations of large problems. Future, massively-parallel computers will provide a solution. Sandia has already developed simplified versions of the production hydrocode CTH for the Connection Machine and the nCUBE massively-parallel supercomputers. The parallel versions solve problems in two-dimensional, multi-fluid, shock-wave physics. Code development strategy, coding methodology, visualization techniques and performance results for this work are described.

640410 -- Fluid Physics-- General Fluid Dynamics↗

Optimizing Distributed Training on Frontier for Large Language Models

Large language models (LLMs) have demonstrated remarkable success as foundational models, benefiting various downstream applications through fine-tuning. Loss scaling studies have demonstrated the superior performance of larger LLMs compared to their smaller counterparts. Nevertheless, training LLMs with billions of parameters poses significant challenges and requires considerable computational resources. For example, training a one trillion parameter GPT-style model on 20 trillion tokens requires a staggering 120 million exaflops. This research explores efficient distributed training strategies to extract this computation from Frontier, the world's first exascale supercomputer. We enable and investigate various model and data parallel training techniques, such as tensor parallelism, pipeline parallelism, and sharded data parallelism, to facilitate training a trillion-parameter model on Frontier. We empirically assess these techniques and their associated parameters to determine their impact on memory footprint, communication latency, and GPU's computational efficiency. We analyze the complex interplay among these techniques and find a strategy to combine them to achieve high throughput through hyperparameter tuning. We have identified efficient strategies for training large LLMs of varying sizes through empirical analysis and hyperparameter tuning. For 22 Billion, 175 Billion, and 1 Trillion parameters, we achieved GPU throughputs of 38.38%, 36.14%, and 31.96%, respectively. For the training of the 175 Billion parameter model and the 1 Trillion parameter model, we achieved 100% weak scaling efficiency on 1024 and 3072 Mi250X GPUs, respectively. We also achieved strong scaling efficiencies of 89% and 87% for these two models. We trained these models only tens of iterations instead of training till completion.

Yin, Junqi↗

A Parallelised ROOT for Future HEP Data Processing

In the coming years, HEP data processing will need to exploit parallelism on present and future hardware resources to sustain the bandwidth requirements. As one of the cornerstones of the HEP software ecosystem, ROOT embraced an ambitious parallelisation plan which delivered compelling results. In this contribution the strategy is characterised as well as its evolution in the medium term. The units of the ROOT framework are discussed where task and data parallelism have been introduced, with runtime and scaling measurements. We will give an overview of concurrent operations in ROOT, for instance in the areas of I/O (reading and writing of data), fitting / minimization, and data analysis. This paper introduces the programming model and use cases for explicit and implicit parallelism, where the former is explicit in user code and the latter is implicitly managed by ROOT internally.

97 MATHEMATICS AND COMPUTING↗

A survey on checkpointing strategies: Should we always checkpoint à la Young/Daly?

The Young/Daly formula provides an approximation of the optimal checkpointing period for a parallel application executing on a supercomputing platform. It was originally designed to handle fail-stop errors for preemptible tightly-coupled applications, but has been extended to other application and resilience frameworks. Here, we provide some background and survey various scenarios to assess the usefulness and limitations of the formula, both for preemptible applications and workflow applications represented as a graph of tasks. We also discuss scenarios with uncertainties, and extend the study to silent errors. We exhibit cases where the optimal period is of a different order than that dictated by the Young/Daly formula, and finally we explain how checkpointing can be further combined with replication.

97 MATHEMATICS AND COMPUTING↗

Hardware impacts to software development strategies - The history of the development of the Mars Observer Payload Data Subsystem embedded real-time software

Ways in which parallel hardware development and high level requirements changes have influenced Mars Observer Payload Data Subsystem (PDS) flight software development are discussed. Particular attention is given to ways in which the evolving hardware product and changing requirements have led to repeated modification to software requirements, design, code, and test tools and a delay in the closure of corresponding phases of the software development life cycle. Design and implementation problems which were encountered during the PDS software development effort are described.

Elson, Anne B.↗

Scalable Implicit Solvers with Dynamic Mesh Adaptation for a Relativistic Drift-Kinetic Fokker–Planck–Boltzmann Model

In this work we consider a relativistic drift-kinetic model for runaway electrons along with a Fokker–Planck operator for small-angle Coulomb collisions, a radiation damping operator, and a secondary knock-on (Boltzmann) collision source. Here, we develop a new scalable fully implicit solver utilizing finite volume and conservative finite difference schemes and dynamic mesh adaptivity. A new data management framework in the PETSc library based on the p4est library is developed to enable simulations with dynamic adaptive mesh refinement (AMR), distributed memory parallelization, and dynamic load balancing of computational work. This framework and the runaway electron solver building on the framework are able to dynamically capture both bulk Maxwellian at the low-energy region and a runaway tail at the high-energy region. To effectively capture features via the AMR algorithm, a new AMR indicator prediction strategy is proposed that is performed alongside the implicit time evolution of the solution. This strategy is complemented by the introduction of computationally cheap feature-based AMR indicators that are analyzed theoretically. Numerical results quantify the advantages of the prediction strategy in better capturing features compared with nonpredictive strategies; and we demonstrate trade-offs regarding computational costs. The robustness with respect to model parameters, algorithmic scalability, and parallel scalability are demonstrated through several benchmark problems including manufactured solutions and solutions of different physics models. We focus on demonstrating the advantages of using implicit time stepping and AMR for runaway electron simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Priority-BF: A Task Manager for Priority-Based Scheduling

The increasing demand for computational resources, particularly in High-Performance Computing environments, necessitates to rethink how we handle job scheduling strategies. This work addresses the challenge of managing concurrent jobs with differing priorities on overloaded parallel systems, where strict QoS constraints are often difficult for users to define. Our solution relies on a qualitative description of priorities and pulls from two key approaches: the Easy-BF algorithm and the Conservative Backfilling algorithms. This solution improves the response time for high-priority jobs by 50% without affecting the overall system utilization. We show its applicability in several critical scenarios such as High-Performance Computing (HPC) resource management and in-situ computing.

Gainaru, Ana [ORNL]↗