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At least 1,243 records · Page 69

Transputer based control system for MTLRS

The Modular Transportable Laser Ranging Systems (MTLRS-1 and MTLRS-2) have been designed in the early eighties and have been in operation very successfully since 1984. The original design of the electronic control system was based on the philosophy of parallel processing, but these ideas could at that time only be implemented to a very limited extent. This present system utilizes two MOTOROLA 6800 8-bit processors slaved to a HP A-600 micro-computer. These processors support the telescope tracking system and the data-acquisition/formatting, respectively. Nevertheless, the overall design still is largely hardware oriented. Because the system is now some nine years old, aging of components increases the risk of malfunctioning and some components or units are outdated and not available anymore. The control system for MTLRS is now being re-designed completely, based on the original philosophy of parallel processing, making use of contemporary advanced electronics and processor technology. The new design aims at the requirements for Satellite Laser Ranging (SLR) in the nineties, making use of the extensive operational experience obtained with the two transportable systems.

Vermaat, Erik↗

A UPC++ Actor Library and Its Evaluation On a Shallow Water Proxy Application

Programmability is one of the key challenges of Exascale Computing. Using the actor model for distributed computations may be one solution. The actor model separates computation from communication while still enabling their overlap. Each actor possesses specified communication endpoints to publish and receive information. Computations are undertaken based on the data available on these channels. We present a library that implements this programming model using UPC++, a PGAS library, and evaluate three different parallelization strategies, one based on rank-sequential execution, one based on multiple threads in a rank, and one based on OpenMP tasks. In an evaluation of our library using shallow water proxy applications, our solution compares favorably against an earlier implementation based on X10, and a BSP-based approach.

Pöppl, Alexander↗

In-depth analysis on parallel processing patterns for high-performance Dataframes

The Data Science domain has expanded monumentally in both research and industry communities during the past decade, predominantly owing to the Big Data revolution. Artificial Intelligence (AI) and Machine Learning (ML) are bringing more complexities to data engineering applications, which are now integrated into data processing pipelines to process terabytes of data. Typically, a significant amount of time is spent on data preprocessing in these pipelines, and hence improving its efficiency directly impacts the overall pipeline performance. The community has recently embraced the concept of Dataframes as the de-facto data structure for data representation and manipulation. However, the most widely used serial Dataframes today (R, pandas) experience performance limitations while working on even moderately large data sets. We believe that there is plenty of room for improvement by taking a look at this problem from a high-performance computing point of view. In a prior publication, we presented a set of parallel processing patterns for distributed dataframe operators and the reference runtime implementation, Cylon. In this paper, we are expanding on the initial concept by introducing a cost model for evaluating the said patterns. Furthermore, we evaluate the performance of Cylon on the ORNL Summit supercomputer.

97 MATHEMATICS AND COMPUTING↗

An alternating direction implicit method for the Control Data STAR-100 vector computer

An implementation of the alternating direction implicit (ADI) method for the Control Data STAR-100 computer is presented and analyzed. Two parallel algorithms, both of which are most efficient when used to solve many independent tridiagonal systems of equations, are discussed relative to their usefulness in an ADI implementation on the STAR-100 computer. It is shown that it may be desirable to alternate between the parallel algorithms as the direction of implicitness is alternated in order to eliminate the data rearrangement which would otherwise be required. The applicability of the two parallel tridiagonal solvers to several other numerical algorithms is also discussed.

Lambiotte, J. J., Jr.↗

In situ Parallel Training of Analog Neural Network Using Electrochemical Random-Access Memory

In-memory computing based on non-volatile resistive memory can significantly improve the energy efficiency of artificial neural networks. However, accurate in situ training has been challenging due to the nonlinear and stochastic switching of the resistive memory elements. One promising analog memory is the electrochemical random-access memory (ECRAM), also known as the redox transistor. Its low write currents and linear switching properties across hundreds of analog states enable accurate and massively parallel updates of a full crossbar array, which yield rapid and energy-efficient training. While simulations predict that ECRAM based neural networks achieve high training accuracy at significantly higher energy efficiency than digital implementations, these predictions have not been experimentally achieved. In this work, we train a 3 × 3 array of ECRAM devices that learns to discriminate several elementary logic gates (AND, OR, NAND). We record the evolution of the network’s synaptic weights during parallel in situ (on-line) training, with outer product updates. Due to linear and reproducible device switching characteristics, our crossbar simulations not only accurately simulate the epochs to convergence, but also quantitatively capture the evolution of weights in individual devices. The implementation of the first in situ parallel training together with strong agreement with simulation results provides a significant advance toward developing ECRAM into larger crossbar arrays for artificial neural network accelerators, which could enable orders of magnitude improvements in energy efficiency of deep neural networks.

97 MATHEMATICS AND COMPUTING↗

Acceleration of Semiempirical QM/MM Methods through Message Passage Interface (MPI), Hybrid MPI/Open Multiprocessing, and Self-Consistent Field Accelerator Implementations

The strategy and implementation of scalable and efficient semiempirical (SE) QM/MM methods in CHARMM are described. The serial version of the code was first profiled to identify routines that required parallelization. Afterward, the code was parallelized and accelerated with three approaches. The first approach was the parallelization of the entire QM/MM routines, including the Fock matrix diagonalization routines, using the CHARMM message passage interface (MPI) machinery. In the second approach, two different self-consistent field (SCF) energy convergence accelerators were implemented using density and Fock matrices as targets for their extrapolations in the SCF procedure. In the third approach, the entire QM/MM and MM energy routines were accelerated by implementing the hybrid MPI/open multiprocessing (OpenMP) model in which both the task- and loop-level parallelization strategies were adopted to balance loads between different OpenMP threads. The present implementation was tested on two solvated enzyme systems (including <100 QM atoms) and an S N 2 symmetric reaction in water. The MPI version exceeded existing SE QM methods in CHARMM, which include the SCC-DFTB and SQUANTUM methods, by at least 4-fold. The use of SCF convergence accelerators further accelerated the code by ~12–35% depending on the size of the QM region and the number of CPU cores used. Although the MPI version displayed good scalability, the performance was diminished for large numbers of MPI processes due to the overhead associated with MPI communications between nodes. This issue was partially overcome by the hybrid MPI/OpenMP approach which displayed a better scalability for a larger number of CPU cores (up to 64 CPUs in the tested systems).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Developing Ultrahigh-Resolution E3SM Land Model for GPU Systems

Designing and refactoring complex scientific code, such as the E3SM land model (ELM), for new computing architectures is challenging. This paper presents design strategies and technical approaches to develop a data-oriented, GPU-ready ELM model using compiler directives (OpenACC/OpenMP). We first analyze the datatypes and processes in the original ELM code. Then we present design considerations for ultrahigh-resolution ELM (uELM) development for massive GPU systems. These techniques include the global data-oriented simulation workflow, domain partition, code porting and data copy, memory reduction, parallel loop restructure and flattening, and race condition detection. We implemented the first version of uELM using OpenACC targeting the NVidia GPUs in the Summit supercomputer at Oak Ridge National Laboratory. During the implementation, we developed a software tool (named SPEL) to facilitate code generation, verification, and performance tuning using these techniques. The first uELM implementation for Nvidia GPUs on Summit delivered promising results: 1) over 98% of the ELM code was automatically generated and tuned by scripts. Most ELM modules had better computational performances than the original ELM code for CPUs. The GPU-ready uELM is more scalable than the CPU code on fully-loaded Summit nodes. Example profiling results from several modules are also presented to illustrate the performance improvements and race condition detection. The lessons learned and toolkit developed in the study are also suitable for further uELM deployment using OpenMP on the first US exascale computer, Frontier, equipped with AMD CPUs and GPUs.

Schwartz, Peter↗

SOMAFOAM: An OpenFOAM based solver for continuum simulations of low-temperature plasmas

Here, we report the development of SOMAFOAM, a finite volume framework for performing continuum simulations of low-temperature plasmas. The primary goal of this work is to discuss the features of SOMAFOAM along with representative results provided as examples for a range of operating conditions and geometries. This includes plasma and plasma–dielectric systems operating in direct current, radio frequency, and microwave regimes from pressures as low as 100 mTorr to atmospheric pressure. The code has several useful features including the ability to run massively parallel simulations using arbitrary geometries, structured/unstructured meshes, choice of models such as drift–diffusion/full-momentum at runtime, and species-dependent timesteps to name a few. The verification/validation studies presented include comparison with previously published continuum simulations (low-pressure direct current and radio frequency plasma), with experiments (Gaseous Electronics Conference Reference Cell and microwave microplasma ignited in a split ring resonator), and previously published kinetic simulations (low-pressure radio frequency plasma). Other examples provided include a direct current atmospheric pressure microplasma bounded by dielectric sidewalls and a helium–nitrogen plasma ignited using a needle electrode facing a dielectric. The performance of the code is also discussed with serial and distributed memory parallel runs demonstrated up to 512 cores. The design and implementation of the code in a modular object-oriented framework allows for easy extension and seamless coupling with other codes and can be expected to play an important role in both academia and industry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Forty years of durability assessment of nuclear waste glass by standard methods

Abstract Standard methods to assess the durability of vitrified radioactive waste were first developed in the 1980’s and, over the last 40 years, have evolved to yield a range of responses depending on experimental conditions and glass composition. Mechanistic understanding of glass dissolution has progressed in parallel, enhancing our interpretation of the data acquired. With the implementation of subsurface disposal for vitrified radioactive waste drawing closer, it is timely to review the available standard methodologies and reflect upon their relative advantages, limitations, and how the data obtained can be interpreted to support the post-closure safety case for radioactive waste disposal.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

VWC-BERT: Scaling Vulnerability–Weakness–Exploit Mapping on Modern AI Accelerators

Defending cybersystems needs accurate mapping of software and hardware vulnerabilities to generalized descriptions of weaknesses, and weaknesses to exploits. These mappings enable cyber defenders to build plans for effective defense and assessment of potential risks to a cybersystem. With close to 170k vulnerabilities, manual mapping is not a feasible option. However, automated mapping is challenging due to limited training data, computational intractability, and limitations in computational natural language processing. Tools based on breakthroughs in Transformer-based language models have been demonstrated to classify vulnerabilities with high accuracy. We make three key contributions in this paper: (1) We present a new framework, \VWCBERT, that augments the Transformer-based hierarchical multi-class classification framework of Das et al. (\textsc{V2W-BERT}) with the ability to map weaknesses to exploits. (2) We implement \VWCBERT~ on modern AI accelerator platforms using two data parallel techniques for the pre-training phase and demonstrate nearly linear speedups across NVIDIA and Graphcore accelerator platforms. We observe nearly linear speedups for up to 16 V100 and 8 A100 GPUs, and about 3.4$\times$ speedup for A100 relative to V100 GPUs. We also observe excellent speedups on Graphcore, with $5.7\times$ speedup on 128 IPUs relative to 16 IPUs. Enabled by scaling, we also demonstrate higher accuracy using a larger language model, RoBERTa-Large. We show up to 87\% accuracy for strict and up to 98\% accuracy for relaxed classification. (3) We develop a novel parallel link manager for the link prediction phase and demonstrate up to 21$\times$ speedup with 16 V100 GPUs relative to one V100 GPU, and thus reducing the runtime from 2.5 hours to 10 minutes. We believe that generalizability and scalability of \VWCBERT~ will benefit both the theoretical development and practical deployment of novel cyberdefense solutions and vulnerability classification.

Das, Siddhartha Shankar↗

TaskAMR

TaskAMR is a Cartesian Block Adaptive Mesh Refinement (AMR) code, written using the Regent/Legion parallel programming system, that solves Finite Volume calculations. We provide implementations for linear advection and gas dynamics.

Pietarila, Jonathan↗

Evaluation of Steam Cycle Upgrades to Improve the Competitiveness of U.S. Coal Power Plants (Final Scientific / Technical Report)

Increasing the competitiveness of the existing pulverized-coal utility fleet in the United States may be achieved by decreasing heat rate, via increases in steam cycle efficiency through upgraded steam temperatures and use of latest technology available in steam turbine and blading design. The average net plant efficiency of the US coal-fired fleet is approximately 33% (HHV). Plant efficiency increases to approximately 41.4% (HHV) at 1,350°F (732°C) steam temperature. However, achieving these Advanced Ultra-Super Critical (AUSC) steam conditions requires the use of advanced high-temperature materials. While there has been a significant amount of DOE-funded materials R&D, most of the related design work has focused on new (greenfield) units, rather than on opportunities to retrofit this advanced technology to the existing utility fleet. If technology, based upon the advanced materials required for AUSC steam conditions, may be applied to the existing fleet, using an economically viable retrofit, a higher capacity factor can be expected as a result of the increased plant competitiveness. The Electric Power Research Institute (EPRI) was awarded a project by the US Department of Energy to examine the technical and economic feasibility of a series of steam cycle upgrades to the two most prevalent types of U.S. coal power plants: 2,400 psig (16.6 MPa) subcritical and 3,500 psig (24.1 MPa) supercritical pulverized coal units. The nine upgrade options that were originally being considered included increasing the main and reheat steam temperatures from 1,000°F (538°C) to 1,100°, 1,200°, and 1,350°F (593°C, 649°C, and 732°C) while holding the steam pressures constant at their original design values, and cases where just the main steam or reheat steam temperatures were increased. The objective was to minimize the modifications required to the existing power plant while still providing a significant improvement in heat rate. The upgrade options assumed that the boiler enclosure envelope remained unchanged from each base case, and that all applicable OEM design guidelines for normal commercial units were imposed. For the highest temperature supercritical case, an option of using a low-pressure molten salt loop to transfer heat from the furnace to the steam was examined. The first major task of the work scope was designed to examine the technical feasibility of various upgrade options, while the subsequent work determined economic viability of the technically feasible upgrade options. Prior to evaluating the effect of these increased temperatures, a “base case” model of a subcritical and supercritical PC boiler was created, which was used for comparative purposes. Upgrade options were evaluated at full-load, part-load and dynamic transient conditions. Once the technical feasibility of each upgrade option was evaluated, the economic value of the heat rate improvement of each feasible option was determined by detailed modeling of unit dispatch in several regional power markets. The dispatch model was used to estimate the amount of revenue from power sales the upgraded unit would receive in comparison to a non-upgraded version of the same power plant. As a parallel task to the dispatch analysis, the capital cost of implementing the upgrades was estimated. The capital cost estimates were then compared to the increased revenue estimated by the dispatch modeling to determine the economic attractiveness of each upgrade option. Several upgrade options were determined to be technically feasible. The net present value (NPV) of the costs for steam cycle upgrades considered in this study ranged from approximately $\$$111 to $\$$130 million. The economic modeling results show that the unit dispatch changes resulting from steam cycle upgrades are relatively small, due largely to heat rate (and operating cost) changes being relatively small. Additionally, the cost of each upgrade exceeds the net revenue increases associated with the upgrade case. Note that the breakeven values are higher for subcritical retrofits, but the capital costs for the subcritical upgrades are also slightly higher. In typical new pulverized coal plants, fuel accounts for approximately 25% of the cost of electricity (COE), while capital costs represent around 50% of the COE. Therefore, in order to improve the heat rate by 4% one can only afford to increase the capital cost by 2%, at the same cost of electricity. The conclusion of this study is that without a cost for emitting CO 2 , it will be difficult to pay for significant efficiency improvements on plants firing low cost coals.

01 COAL, LIGNITE, AND PEAT↗

A Block-Structured Adaptive Mesh Framework to Solve Radiation Transfer Equation in Irregular Embedded Geometries

Radiation transport arises in various scientific, industrial, and medical fields, and understanding its effect in applications is needed to make accurate predictions, safety assessments and performance optimizations. Solving the Radiation Transport Equation (RTE) is challenging due to its integro-differential nature, which involves both differential and integral terms. The differential term describes the change in radiation intensity due to absorption and emission, while the integral term accounts for scattering. The accurate modeling of radiation is further complicated in many applications due to the complex, irregular geometries. Various methods exist for solving the RTE, including the zonal, Monte Carlo, spherical harmonics, discrete ordinates, and finite volume methods. Traditional mesh-based approaches, which rely on structured or unstructured meshes, struggle with irregular geometries due to: a) the difficulty of conforming structured grids to irregular domains, b) challenges in enforcing boundary conditions correctly, and c) the additional computational cost of unstructured mesh methods. This work presents a second-order accurate method for solving the RTE in irregular geometries. The radiation intensity is discretized using the finite-volume method in both spatial and angular directions on regular Cartesian grid blocks. Leveraging the block-structured adaptive mesh refinement (AMR) framework provided by AMReX, our method refines the grid locally to reduce spatial discretization error, ensuring a converged numerical solution while minimizing computational costs elsewhere. A two-stage deferred correction approach is employed: First, a first-order discretization on grid blocks is solved using an algebraic multigrid method in HYPRE. Second, a correction term is applied explicitly to achieve second-order accuracy. The correction term is calculated by approximating the radiation flux on cell faces using a Total Variation Diminishing (TVD) scheme. This approach ensures quick convergence of the multigrid method while preserving higher-order accuracy of the numerical solution. Irregular geometries are resolved as embedded boundaries (EB), resulting in both cut cells and regular cells. In cut cells, we modify the fluxes using face fractions and incorporate additional contributions from EB boundary conditions. To ensure higher-order convergence near the EB interface, the correction term is modified by interpolating the radiation intensity to fictitious ghost points. The implementation takes advantage of modern supercomputers by leveraging AMReX’sMPI/X parallelization strategy where X can be MPI or a GPU accelerator including CUDA, HIP and DPC++. We validate our solver using classical test cases, both with and without EB, demonstrating accuracy and efficiency. Additionally, we analyze the impact of adaptive mesh refinement on solution accuracy and computational cost, highlighting the advantages of our approach for high-resolution radiation transport simulations.

computational fluid dynamics (CFD)↗

Simulation of charged particle transport on the MPP

Computations of cosmic ray transport based upon finite difference methods are afflicted by instabilities, inaccuracies, and artifacts. To avoid these problems, a Monte Carlo formulation was developed which is closely related not only to the finite difference formulation, but also to the underlying physics of transport phenomena. Implementations of this approach are currently running on the Massively Parallel Processor at Goddard, whose enormous computing power overwhelms the poor statistical accuracy that usually limits the use of stochastic methods. In a Monte Carlo simulation of rectilinear transport, the coherent and diffusive effects that appeared are in good quantitative agreement with both finite difference and analytical calculations.

Earl, James A.↗

Domain decomposition preconditioners for the spectral collocation method

Several block iteration preconditioners are proposed and analyzed for the solution of elliptic problems by spectral collocation methods in a region partitioned into several rectangles. It is shown that convergence is achieved with a rate which does not depend on the polynomial degree of the spectral solution. The iterative methods here presented can be effectively implemented on multiprocessor systems due to their high degree of parallelism.

Quarteroni, Alfio↗

Beam rider for an Articulated Robot Manipulator (ARM) accurate positioning of long flexible manipulators

Laser beam positioning and beam rider modules were incorporated into the long hollow flexible segment of an articulated robot manipulator (ARM). Using a single laser beam, the system determined the position of the distal ARM endtip, with millimetric precision, in six degrees of freedom, at distances of up to 10 meters. Preliminary designs, using space rated technology for the critical systems, of a two segmented physical ARM, with a single and a dual degree of freedom articulation, were developed, prototyped, and tested. To control the positioning of the physical ARM, an indirect adaptive controller, which used the mismatch between the position of the laser beam under static and dynamic conditions, was devised. To predict the behavior of the system and test the concept, a computer simulation model was constructed. A hierarchical artificially intelligent real time ADA operating system program structure was created. The software was designed for implementation on a dedicated VME bus based Intel 80386 administered parallel processing multi-tasking computer system.

Malachowski, M. J.↗

Spatial light modulators and applications III; Proceedings of the Meeting, San Diego, CA, Aug. 7, 8, 1989

Recent advances in the technology and applications of spatial light modulators (SLMs) are discussed in review essays by leading experts. Topics addressed include materials for SLMs, SLM devices and device technology, applications to optical data processing, and applications to artificial neural networks. Particular attention is given to nonlinear optical polymers, liquid crystals, magnetooptic SLMs, multiple-quantum-well SLMs, deformable-mirror SLMs, three-dimensional optical memories, applications of photorefractive devices to optical computing, photonic neurocomputers and learning machines, holographic associative memories, SLMs as parallel memories for optoelectronic neural networks, and coherent-optics implementations of neural-network models.

Efron, Uzi↗

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↗