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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 793 records · Page 44

Message Passing vs. Shared Address Space on a Cluster of SMPs

The convergence of scalable computer architectures using clusters of PCs (or PC-SMPs) with commodity networking has become an attractive platform for high end scientific computing. Currently, message-passing and shared address space (SAS) are the two leading programming paradigms for these systems. Message-passing has been standardized with MPI, and is the most common and mature programming approach. However message-passing code development can be extremely difficult, especially for irregular structured computations. SAS offers substantial ease of programming, but may suffer from performance limitations due to poor spatial locality, and high protocol overhead. In this paper, we compare the performance of and programming effort, required for six applications under both programming models on a 32 CPU PC-SMP cluster. Our application suite consists of codes that typically do not exhibit high efficiency under shared memory programming. due to their high communication to computation ratios and complex communication patterns. Results indicate that SAS can achieve about half the parallel efficiency of MPI for most of our applications: however, on certain classes of problems SAS performance is competitive with MPI. We also present new algorithms for improving the PC cluster performance of MPI collective operations.

Shan, Hongzhang↗

A dual-armed free flyer

This summary presents the main conclusions and results of the design studies conducted by a group of 13 students at the University of Maryland. The students, all participants in the spring 1989 course ENEE418 in the Electrical Engineering Department, met weekly in a two-hour class to discuss and evaluate design alternatives. The main problem considered was the design and control of a planar testbed simulating a free-flying space robot for applications in satellite servicing. This project grew out of the 1988 class where a dual-armed free flyer (DAFF) was designed and partially built. This year, a group of six students continued the development of the DAFF, achieving computer-controlled motion of the DAFF's arms. All fabrication and testing of the DAFF is being conducted in the Intelligent Servosystems Laboratory at the University of Maryland. While the work related to the design and development of the DAFF is the main subject of the report, it should be noted that other students in the ENEE418 class have investigated additional issues related to manipulation in space. For example, one group studied a new parallel linkage based manipulator for fine motion applications such as in assembly operations in space. They investigated the mechanism's kinematics, its reachable workspace, and precision of applying forces and torques. In yet another project, a student set out to measure and map the friction characteristics of the actuators used in the Modular Dextrous Hand, which has been recently developed in the Intelligent Servosystems Laboratory. The results are expected to help compensate for this friction, which is a highly nonlinear disturbance and presents significant problems in high-precision, low-speed operations. This summary continues with the discussion of the results obtained by the group of students who have been working on developing the DAFF testbed.

Beck, D.↗

Approximation for Horizontal Photon Transport in Cloud Remote Sensing Problems

The effect of horizontal photon transport within real-world clouds can be of consequence to remote sensing problems based on plane-parallel cloud models. An analytic approximation for the root-mean-square horizontal displacement of reflected and transmitted photons relative to the incident cloud-top location is derived from random walk theory. The resulting formula is a function of the average number of photon scatterings, and particle asymmetry parameter and single scattering albedo. In turn, the average number of scatterings can be determined from efficient adding/doubling radiative transfer procedures. The approximation is applied to liquid water clouds for typical remote sensing solar spectral bands, involving both conservative and non-conservative scattering. Results compare well with Monte Carlo calculations. Though the emphasis is on horizontal photon transport in terrestrial clouds, the derived approximation is applicable to any multiple scattering plane-parallel radiative transfer problem. The complete horizontal transport probability distribution can be described with an analytic distribution specified by the root-mean-square and average displacement values. However, it is shown empirically that the average displacement can be reasonably inferred from the root-mean-square value. An estimate for the horizontal transport distribution can then be made from the root-mean-square photon displacement alone.

Plantnick, Steven↗

Advanced Electric Distribution, Switching, and Conversion Technology for Power Control

The Electrical Power Control Unit currently under development by Sundstrand Aerospace for use on the Fluids Combustion Facility of the International Space Station is the precursor of modular power distribution and conversion concepts for future spacecraft and aircraft applications. This unit combines modular current-limiting flexible remote power controllers and paralleled power converters into one package. Each unit includes three 1-kW, current-limiting power converter modules designed for a variable-ratio load sharing capability. The flexible remote power controllers can be used in parallel to match load requirements and can be programmed for an initial ON or OFF state on powerup. The unit contains an integral cold plate. The modularity and hybridization of the Electrical Power Control Unit sets the course for future spacecraft electrical power systems, both large and small. In such systems, the basic hybridized converter and flexible remote power controller building blocks could be configured to match power distribution and conversion capabilities to load requirements. In addition, the flexible remote power controllers could be configured in assemblies to feed multiple individual loads and could be used in parallel to meet the specific current requirements of each of those loads. Ultimately, the Electrical Power Control Unit design concept could evolve to a common switch module hybrid, or family of hybrids, for both converter and switchgear applications. By assembling hybrids of a common current rating and voltage class in parallel, researchers could readily adapt these units for multiple applications. The Electrical Power Control Unit concept has the potential to be scaled to larger and smaller ratings for both small and large spacecraft and for aircraft where high-power density, remote power controllers or power converters are required and a common replacement part is desired for multiples of a base current rating.

Soltis, James V.↗

Algorithmic commonalities in the parallel environment

The ultimate aim of this project was to analyze procedures from substantially different application areas to discover what is either common or peculiar in the process of conversion to the Massively Parallel Processor (MPP). Three areas were identified: molecular dynamic simulation, production systems (rule systems), and various graphics and vision algorithms. To date, only selected graphics procedures have been investigated. They are the most readily available, and produce the most visible results. These include simple polygon patch rendering, raycasting against a constructive solid geometric model, and stochastic or fractal based textured surface algorithms. Only the simplest of conversion strategies, mapping a major loop to the array, has been investigated so far. It is not entirely satisfactory.

Mcanulty, Michael A.↗

Massive Asynchronous Parallelization of Sparse Matrix Factorizations

Solving sparse problems is at the core of many DOE computational science applications. We focus on the challenge of developing sparse algorithms that can fully exploit the parallelism in extreme-scale computing systems, in particular systems with massive numbers of cores per node. Our approach is to express a sparse matrix factorization as a large number of bilinear constraint equations, and then solving these equations via an asynchronous iterative method. The unknowns in these equations are the matrix entries of the factorization that is desired.

97 MATHEMATICS AND COMPUTING↗

Sprain energy consequences for damage localization and fracture mechanics

The 2023 smooth Lagrangian Crack-Band Model (slCBM), inspired by the 2020 invention of the gap test, prevented spurious damage localization during fracture growth by introducing the second gradient of the displacement field vector, named the “sprain,” as the localization limiter. The key idea was that, in the finite element implementation, the displacement vector and its gradient should be treated as independent fields with the lowest ( C 0 ) continuity, constrained by a second-order Lagrange multiplier tensor. Coupled with a realistic constitutive law for triaxial softening damage, such as microplane model M7, the known limitations of the classical Crack Band Model were eliminated. Here, we show that the slCBM closely reproduces the size effect revealed by the gap test at various crack-parallel stresses. To describe it, we present an approximate corrective formula, although a strong loading-path dependence limits its applicability. Except for the rare case of zero crack-parallel stresses, the fracture predictions of the line crack models (linear elastic fracture mechanics, phase-field, extended finite element method (XFEM), cohesive crack models) can be as much as 100% in error. We argue that the localization limiter concept must be extended by including the resistance to material rotation gradients. We also show that, without this resistance, the existing strain-gradient damage theories may predict a wrong fracture pattern and have, for Mode II and III fractures, a load capacity error as much as 55%. Finally, we argue that the crack-parallel stress effect must occur in all materials, ranging from concrete to atomistically sharp cracks in crystals.

Science & Technology - Other Topics↗

Parallel computing for probabilistic fatigue analysis

This paper presents the results of Phase I research to investigate the most effective parallel processing software strategies and hardware configurations for probabilistic structural analysis. We investigate the efficiency of both shared and distributed-memory architectures via a probabilistic fatigue life analysis problem. We also present a parallel programming approach, the virtual shared-memory paradigm, that is applicable across both types of hardware. Using this approach, problems can be solved on a variety of parallel configurations, including networks of single or multiprocessor workstations. We conclude that it is possible to effectively parallelize probabilistic fatigue analysis codes; however, special strategies will be needed to achieve large-scale parallelism to keep large number of processors busy and to treat problems with the large memory requirements encountered in practice. We also conclude that distributed-memory architecture is preferable to shared-memory for achieving large scale parallelism; however, in the future, the currently emerging hybrid-memory architectures will likely be optimal.

Sues, Robert H.↗

All-Atom Simulation of 3D Hot Spot Formation in Shocked TATB Explosive

TATB is an insensitive high explosive (IHE) critical to the stockpile that is challenging to model at the continuum scale. Advanced detonation models in the Cheetah high explosive chemistry code require validation though subscale simulations. High explosive initiation is determined by micron-scale physics of hot spots formed a shock-collapsed pores. Pore sizes between 100 nm and 1 μm are believed to be the most important for determining the shock sensitivity of TATB. This range of pore sizes is difficult to access at the atomic scale through allatom molecular dynamics (MD) simulations, even with Sierra-class computers. Quasi-2D simulations are widely used and allow much larger pore sizes (up to 400 nm) to be studied, but the applicability of 2D simulations to the actual 3D pore response is not understood. Resolving these uncertainties through “full physics” MD modeling is key for generalizing, parameterizing, and validating the kinds of continuum models used to inform design, safety, and performance. This work was a continuation of FY20 efforts pushing simulations to full 3D with the largest-ever all-atom simulations of an explosive. These were the first all-atom full-3D simulations of large hot spots thought to govern explosive detonation and required over a billion atoms. Simulations were performed using LAMMPS, an open SNL science code. MD explosive models present unique challenges, even for established codes such as LAMMPS. Their model forms are more complex than typical models for metals, while simulating high temperature-pressure conditions is demanding and increases computational cost. Scaling problems in GPU-enabled MD algorithms initially limited simulations to <100 million atoms but were resolved through collaboration with SNL. An overall 24x speedup was obtained relative to CPU machines. Specialized analysis of these simulations required a bottom-up refactoring and algorithm parallelization of in-house codes and application of computer vision algorithms to extract meaningful information.

36 MATERIALS SCIENCE↗

Fluid dynamics applications of the Illiac IV computer

The Illiac IV is a parallel-structure computer with computing power an order of magnitude greater than that of conventional computers. It can be used for experimental tasks in fluid dynamics which can be simulated more economically, for simulating flows that cannot be studied by experiment, and for combining computer and experimental simulations. The architecture of Illiac IV is described, and the use of its parallel operation is demonstrated on the example of its solution of the one-dimensional wave equation. For fluid dynamics problems, a special FORTRAN-like vector programming language was devised, called CFD language. Two applications are described in detail: (1) the determination of the flowfield around the space shuttle, and (2) the computation of transonic turbulent separated flow past a thick biconvex airfoil.

Maccormack, R. W.↗

Formal Definitions and Performance Comparison of Consistency Models for Parallel File Systems

The semantics of HPC storage systems are defined by the consistency models to which they abide. Storage consistency models have been less studied than their counterparts in memory systems, with the exception of the POSIX standard and its strict consistency model. The use of POSIX consistency imposes a performance penalty that becomes more significant as the scale of parallel file systems increases and the access time to storage devices, such as node-local solid storage devices, decreases. While some efforts have been made to adopt relaxed storage consistency models, these models are often defined informally and ambiguously as by-products of a particular implementation. Here in this work, we establish a connection between memory consistency models and storage consistency models and revisit the key design choices of storage consistency models from a high-level perspective. Further, we propose a formal and unified framework for defining storage consistency models and a layered implementation that can be used to easily evaluate their relative performance for different I/O workloads. Finally, we conduct a comprehensive performance comparison of two relaxed consistency models on a range of commonly seen parallel I/O workloads, such as checkpoint/restart of scientific applications and random reads of deep learning applications. We demonstrate that for certain I/O scenarios, a weaker consistency model can significantly improve the I/O performance. For instance, in small random reads that are typically found in deep learning applications, session consistency achieved a 5x improvement in I/O bandwidth compared to commit consistency, even at small scales.

97 MATHEMATICS AND COMPUTING↗

Steering law for parallel mounted double-gimbaled control moment gyros. Revision A

Mounting of double-gimbaled control moment gyros (CMG's) of unlimited outer gimbal angle freedom with all their outer gimbal axes parallel allows drastic simplification of the CMG steering law development hardware. The advantages of the parallel mounting for the CMG steering law development are such that a law could be developed which is applicable to any number of CMG's with arbitrary angular momentum. Parallel mounting of the CMG's in conjunction with the steering law can therefore be considered a CMG kit suitable for many missions of differing momentum requirements. It also means that increasing momentum demands during the design phase of a space vehicle can be easily met by the addition of one or more CMG's of the original momentum capacity rather than a redesign to a larger momentum capacity. Another advantage of the parallel mounting is that the failure of any CMG can be treated like any other, i.e., only one failure mode is possible. The CMG steering law distributes the CMG momentum vectors such that all inner gimbal angles are equal which reduces the rate requirements on the outer gimbal axes. The steering law also spreads the outer gimbals which ensures avoidance of singularities internal to the angular momentum envelope.

Kennel, H. F.↗

A direct transcription-based multiple shooting formulation for dynamic optimization

The growing need for fast and efficient solution techniques for solving dynamic optimization problems is driven by a broad spectrum of applications in scheduling and control. We suggest a novel framework for dynamic optimization that utilizes a multiple shooting “backbone” with discrete rather than continuous subproblems, thereby eliminating need for repeated time-integration. A Lagrangian relaxation (LR)-based decomposition scheme is proposed, which dualizes the state continuity requirements between subproblems and enables parallel solution of the problem. We demonstrate the applicability of our method on two case studies: the Van der Pol oscillator and a batch reactor.

42 ENGINEERING↗

High-performance parallel analysis of coupled problems for aircraft propulsion

This research program deals with the application of high-performance computing methods for the analysis of complete jet engines. We have entitled this program by applying the two dimensional parallel aeroelastic codes to the interior gas flow problem of a bypass jet engine. The fluid mesh generation, domain decomposition, and solution capabilities were successfully tested. We then focused attention on methodology for the partitioned analysis of the interaction of the gas flow with a flexible structure and with the fluid mesh motion that results from these structural displacements. This is treated by a new arbitrary Lagrangian-Eulerian (ALE) technique that models the fluid mesh motion as that of a fictitious mass-spring network. New partitioned analysis procedures to treat this coupled three-component problem are developed. These procedures involved delayed corrections and subcycling. Preliminary results on the stability, accuracy, and MPP computational efficiency are reported.

Felippa, C. A.↗

Characterization and identification of HPC applications at leadership computing facility

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.

Liu, Zhengchun↗

Correlation filters for orientation estimation

An important task in many vision applications is that of rapidly estimating the orientation of an object with respect to some frame of reference. Because of their speed and parallel processing capabilities, optical correlators should prove valuable in this application. This paper considers two algorithms for object orientation estimation based on optical correlations and presents some initial simulation results.

Kumar, B. V. K. Vijaya↗

Legacy Code Modernization

Over the past decade, high performance computing has evolved rapidly; systems based on commodity microprocessors have been introduced in quick succession from at least seven vendors/families. Porting codes to every new architecture is a difficult problem; in particular, here at NASA, there are many large CFD applications that are very costly to port to new machines by hand. The LCM ("Legacy Code Modernization") Project is the development of an integrated parallelization environment (IPE) which performs the automated mapping of legacy CFD (Fortran) applications to state-of-the-art high performance computers. While most projects to port codes focus on the parallelization of the code, we consider porting to be an iterative process consisting of several steps: 1) code cleanup, 2) serial optimization,3) parallelization, 4) performance monitoring and visualization, 5) intelligent tools for automated tuning using performance prediction and 6) machine specific optimization. The approach for building this parallelization environment is to build the components for each of the steps simultaneously and then integrate them together. The demonstration will exhibit our latest research in building this environment: 1. Parallelizing tools and compiler evaluation. 2. Code cleanup and serial optimization using automated scripts 3. Development of a code generator for performance prediction 4. Automated partitioning 5. Automated insertion of directives. These demonstrations will exhibit the effectiveness of an automated approach for all the steps involved with porting and tuning a legacy code application for a new architecture.

Hribar, Michelle R.↗

Sculpting the Plasmonic Responses of Nanoparticles by Directed Electron Beam Irradiation

Spatial confinement of matter in functional nanostructures has propelled these systems to the forefront of nanoscience, both as a playground for exotic physics and quantum phenomena and in multiple applications including plasmonics, optoelectronics, and sensing. In parallel, the emergence of monochromated electron energy loss spectroscopy (EELS) has enabled exploration of local nanoplasmonic functionalities within single nanoparticles and the collective response of nanoparticle assemblies, providing deep insight into associated mechanisms. However, modern synthesis processes for plasmonic nanostructures are often limited in the types of accessible geometry, and materials and are limited to spatial precisions on the order of tens of nm, precluding the direct exploration of critical aspects of the structure-property relationships. Here, the atomic-sized probe of the scanning transmission electron microscope is used to perform precise sculpting and design nanoparticle configurations. Using low-loss EELS, dynamic analyses of the evolution of the plasmonic response are provided. It is shown that within self-assembled systems of nanoparticles, individual nanoparticles can be selectively removed, reshaped, or patterned with nanometer-level resolution, effectively modifying the plasmonic response in both space and energy. This process significantly increases the scope for design possibilities and presents opportunities for unique structure development, which are ultimately the key for nanophotonic design.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗