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NASA NTRS1991

Architecture and design of a 500-MHz gallium-arsenide processing element for a parallel supercomputer

The design of the processing element of GASP, a GaAs supercomputer with a 500-MHz instruction issue rate and 1-GHz subsystem clocks, is presented. The novel, functionally modular, block data flow architecture of GASP is described. The architecture and design of a GASP processing element is then presented. The processing element (PE) is implemented in a hybrid semiconductor module with 152 custom GaAs ICs of eight different types. The effects of the implementation technology on both the system-level architecture and the PE design are discussed. SPICE simulations indicate that parts of the PE are capable of being clocked at 1 GHz, while the rest of the PE uses a 500-MHz clock. The architecture utilizes data flow techniques at a program block level, which allows efficient execution of parallel programs while maintaining reasonably good performance on sequential programs. A simulation study of the architecture indicates that an instruction execution rate of over 30,000 MIPS can be attained with 65 PEs.

Fouts, Douglas J.↗

DOE OSTI2022

Low-synch Gram–Schmidt with delayed reorthogonalization for Krylov solvers

The parallel strong-scaling of iterative methods is often determined by the number of global reductions at each iteration. Low-synch Gram-Schmidt algorithms are applied here to the Arnoldi algorithm to reduce the number of global reductions and therefore to improve the parallel strong-scaling of iterative solvers for nonsymmetric matrices such as the GMRES and the Krylov-Schur iterative methods. In the Arnoldi context, the factorization is "left-looking" and processes one column at a time. Among the methods for generating an orthogonal basis for the Arnoldi algorithm, the classical Gram-Schmidt algorithm, with reorthogonalization (CGS2) requires three global reductions per iteration. A new variant of CGS2 that requires only one reduction per iteration is presented and applied to the Arnoldi algorithm. Delayed CGS2 (DCGS2) employs the minimum number of global reductions per iteration (one) for a one-column at-a-time algorithm. The main idea behind the new algorithm is to group global reductions by rearranging the order of operations. DCGS2 must be carefully integrated into an Arnoldi expansion or a GMRES solver. Numerical stability experiments assess robustness for Krylov-Schur eigenvalue computations. Performance experiments on the ORNL Summit supercomputer then establish the superiority of DCGS2 over CGS2.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1994

Some Problems and Solutions in Transferring Ecosystem Simulation Codes to Supercomputers

Many computer codes for the simulation of ecological systems have been developed in the last twenty-five years. This development took place initially on main-frame computers, then mini-computers, and more recently, on micro-computers and workstations. Recent recognition of ecosystem science as a High Performance Computing and Communications Program Grand Challenge area emphasizes supercomputers (both parallel and distributed systems) as the next set of tools for ecological simulation. Transferring ecosystem simulation codes to such systems is not a matter of simply compiling and executing existing code on the supercomputer since there are significant differences in the system architectures of sequential, scalar computers and parallel and/or vector supercomputers. To more appropriately match the application to the architecture (necessary to achieve reasonable performance), the parallelism (if it exists) of the original application must be exploited. We discuss our work in transferring a general grassland simulation model (developed on a VAX in the FORTRAN computer programming language) to a Cray Y-MP. We show the Cray shared-memory vector-architecture, and discuss our rationale for selecting the Cray. We describe porting the model to the Cray and executing and verifying a baseline version, and we discuss the changes we made to exploit the parallelism in the application and to improve code execution. As a result, the Cray executed the model 30 times faster than the VAX 11/785 and 10 times faster than a Sun 4 workstation. We achieved an additional speed-up of approximately 30 percent over the original Cray run by using the compiler's vectorizing capabilities and the machine's ability to put subroutines and functions "in-line" in the code. With the modifications, the code still runs at only about 5% of the Cray's peak speed because it makes ineffective use of the vector processing capabilities of the Cray. We conclude with a discussion and future plans.

Skiles, J. W.↗

DOE OSTI2024

Entanglement Renormalization for Quantum Field Theories with Discrete Wavelet Transforms

We propose an adaptation of Entanglement Renormalization for quantum field theories that, through the use of discrete wavelet transforms, strongly parallels the tensor network architecture of the Multiscale Entanglement Renormalization Ansatz (a.k.a. MERA). Our approach, called wMERA, has several advantages of over previous attempts to adapt MERA to continuum systems. In particular, (i) wMERA is formulated directly in position space, hence preserving the quasi-locality and sparsity of entanglers; and (ii) it enables a built-in RG flow in the implementation of real-time evolution and in computations of correlation functions, which is key for efficient numerical implementations. As examples, we describe in detail two concrete implementations of our wMERA algorithm for free scalar and fermionic theories in (1+1) spacetime dimensions. Possible avenues for constructing wMERAs for interacting field theories are also discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Scalable quantum computational science: A perspective from block-encodings and polynomial transformations

Significant developments made in quantum hardware and error correction recently have been driving quantum computing toward practical utility. However, gaps remain between abstract quantum algorithmic development and practical applications in computational sciences. In this perspective article, we propose several properties that scalable quantum computational science methods should possess. We further discuss how block-encodings and polynomial transformations can potentially serve as a unified framework with the desired properties. Recent advancements on these topics are presented, including the construction and assembly of block-encodings, and various generalizations of quantum signal processing (QSP) algorithms to perform polynomial transformations. The scalability of QSP methods on parallel and distributed quantum architectures is also highlighted. Promising applications in simulation and observable estimation in chemistry, physics, and optimization problems are presented. We hope this perspective serves as a gentle introduction to state-of-the-art quantum algorithms for the computational science community and inspires future development of scalable quantum computational science methodologies that bridge theory and practice.

Bayesian inference↗

DOE OSTI2023

Fast tree-based algorithms for DBSCAN for low-dimensional data on GPUs

DBSCAN is a well-known density-based clustering algorithm to discover arbitrary shape clusters. While conceptually simple in serial, the algorithm is challenging to efficiently parallelize on manycore GPU architectures. Common pitfalls, such as asynchronous range query calls, result in high thread execution divergence in many implementations. In this paper, we propose a new framework for GPU-accelerated DBSCAN, and describe two tree-based algorithms within that framework. Both algorithms fuse the search for neighbors with updating cluster information, but differ in their treatment of dense regions of the data. We show that the time taken to compute clusters is at most twice that of determination of the neighbors. We compare the proposed algorithms with existing CPU and GPU implementations, and demonstrate their competitiveness and performance using a fast traversal structure (bounding volume hierarchy) for low dimensional data. We also show that the memory usage can be reduced by processing object neighbors dynamically without storing them.

Prokopenko, Andrey↗

DOE OSTI2023

MARBLES (Multi-scale Adaptively Refined Boltzmann LatticE Solver) [SWR-23-37]

MARBLES (Multi-scale Adaptively Refined Boltzmann LatticE Solver) is an open-source computational fluid dynamics package powered by the lattice Boltzmann equations and built on AMReX. In the lattice Boltzmann method, local collisions between meso-scale fictitious particles drive the governing equations which enables MARBLES to easily simulate flow around complex and/or moving geometry without the generation of a body-conforming mesh. Using AMReX data structures and operations ensures a high level of computational performance and parallel scaling on heterogenous architectures while also naturally supporting locally enhanced grid resolution and fidelity through automatic mesh refinement. New domains and problem definitions are easily specified through an input file with examples and guidance on all options and variables provided in the MARBLES documentation.

Henry de Frahan, Marc↗

DOE OSTI2021

Resiliency in numerical algorithm design for extreme scale simulations

Here this work is based on the seminar titled ‘Resiliency in Numerical Algorithm Design for Extreme Scale Simulations’ held March 1–6, 2020, at Schloss Dagstuhl, that was attended by all the authors. Advanced supercomputing is characterized by very high computation speeds at the cost of involving an enormous amount of resources and costs. A typical large-scale computation running for 48 h on a system consuming 20 MW, as predicted for exascale systems, would consume a million kWh, corresponding to about 100k Euro in energy cost for executing 10 23 floating-point operations. It is clearly unacceptable to lose the whole computation if any of the several million parallel processes fails during the execution. Moreover, if a single operation suffers from a bit-flip error, should the whole computation be declared invalid? What about the notion of reproducibility itself: should this core paradigm of science be revised and refined for results that are obtained by large-scale simulation? Naive versions of conventional resilience techniques will not scale to the exascale regime: with a main memory footprint of tens of Petabytes, synchronously writing checkpoint data all the way to background storage at frequent intervals will create intolerable overheads in runtime and energy consumption. Forecasts show that the mean time between failures could be lower than the time to recover from such a checkpoint, so that large calculations at scale might not make any progress if robust alternatives are not investigated. More advanced resilience techniques must be devised. The key may lie in exploiting both advanced system features as well as specific application knowledge. Research will face two essential questions: (1) what are the reliability requirements for a particular computation and (2) how do we best design the algorithms and software to meet these requirements? While the analysis of use cases can help understand the particular reliability requirements, the construction of remedies is currently wide open. One avenue would be to refine and improve on system- or application-level checkpointing and rollback strategies in the case an error is detected. Developers might use fault notification interfaces and flexible runtime systems to respond to node failures in an application-dependent fashion. Novel numerical algorithms or more stochastic computational approaches may be required to meet accuracy requirements in the face of undetectable soft errors. These ideas constituted an essential topic of the seminar. The goal of this Dagstuhl Seminar was to bring together a diverse group of scientists with expertise in exascale computing to discuss novel ways to make applications resilient against detected and undetected faults. In particular, participants explored the role that algorithms and applications play in the holistic approach needed to tackle this challenge. This article gathers a broad range of perspectives on the role of algorithms, applications and systems in achieving resilience for extreme scale simulations. The ultimate goal is to spark novel ideas and encourage the development of concrete solutions for achieving such resilience holistically.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

ERF: Energy Research and Forecasting

The Energy Research and Forecasting (ERF) code is a new model that simulates the mesoscale and microscale dynamics of the atmosphere using the latest high-performance computing architectures. It employs hierarchical parallelism using an MPI+X model, where X may be OpenMP on multicore CPU-only systems, or CUDA, HIP, or SYCL on GPU-accelerated systems. ERF is built on AMReX (Zhang et al., 2019, 2021), a block-structured adaptive mesh refinement (AMR) software framework that provides the underlying performance-portable software infrastructure for block-structured mesh operations. The "energy" aspect of ERF indicates that the software has been developed with renewable energy applications in mind. In addition to being a numerical weather prediction model, ERF is designed to provide a flexible computational framework for the exploration and investigation of different physics parameterizations and numerical strategies, and to characterize the flow field that impacts the ability of wind turbines to extract wind energy. The ERF development is part of a broader effort led by the US Department of Energy's Wind Energy Technologies Office.

17 WIND ENERGY↗

DOE OSTI2024

5G Securely Energized and Resilient: (5G-SER) (Final Report)

NREL's work on 5G integration with physical power systems (versus simulated systems demonstrated in task 3) under 5G-Securely Energized and Resilient (5G-SER) achieved a major milestone in with the completion of Task 4 activities. After many months (6+) of planning and development along with scaling challenges along the way, a full 5G end-to-end network with physical hardware components (physical inverter, physical power panel, physical battery, etc.) was deployed in a containerized environment. In parallel, a distributed controls architecture for a microgrid powering 5G resources was also successfully modified from its previous instantiation for a simulated environment to work with these physical components. These accomplishments set the stage to use newly setup 5G technology with physical microgrid components to test the feasibility of 5G wireless with physical systems to enable resilient communications between controls and distributed solar and storage resources while exploring ways to configure 5G components to survive power disturbances. The results detailed in the report below show that even utilizing physical components, 5G wireless systems were able to provide resilient results that were similar to the results from the simulated environment Task 3).

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1982

Iterative algorithms for large sparse linear systems on parallel computers

Algorithms for assembling in parallel the sparse system of linear equations that result from finite difference or finite element discretizations of elliptic partial differential equations, such as those that arise in structural engineering are developed. Parallel linear stationary iterative algorithms and parallel preconditioned conjugate gradient algorithms are developed for solving these systems. In addition, a model for comparing parallel algorithms on array architectures is developed and results of this model for the algorithms are given.

Adams, L. M.↗

NASA NTRS1983

Programming substructure computations for elliptic problems on the CHiP system

A number of studies have been conducted with the aim to apply parallel computation to problems associated with solving finite element equations arising in structural mechanics and fluid dynamics. These studies have provided many important results. The present investigation is concerned with a set of experiments designed to test two ideas, including configurability and substructuring. The considered algorithms and tests are intended for implementation on the Configurable, Highly Parallel (CHiP) family of architecture described by Snyder (1982). The ChiP computer is composed of homogeneous processing elements (PEs) placed at regular intervals in a lattice of programmable switches. Two examples of the role of configurability and substructuring for simple iterative algorithms are considered, giving attention to conjugate gradient iterations, and tridiagonal systems of equations.

Gannon, D.↗

NASA NTRS1987

EOS: A project to investigate the design and construction of real-time distributed Embedded Operating Systems

Project EOS is studying the problems of building adaptable real-time embedded operating systems for the scientific missions of NASA. Choices (A Class Hierarchical Open Interface for Custom Embedded Systems) is an operating system designed and built by Project EOS to address the following specific issues: the software architecture for adaptable embedded parallel operating systems, the achievement of high-performance and real-time operation, the simplification of interprocess communications, the isolation of operating system mechanisms from one another, and the separation of mechanisms from policy decisions. Choices is written in C++ and runs on a ten processor Encore Multimax. The system is intended for use in constructing specialized computer applications and research on advanced operating system features including fault tolerance and parallelism.

Campbell, R. H.↗

NASA NTRS1989

Incorporation of a progressive failure analysis method in the CSM testbed software system

Analysis of the postbuckling behavior of composite shell structures pose many difficult and challenging problems in the field of structural mechanics. Current analysis methods perform well for most cases in predicting the postbuckling response of undamaged components. To predict component behavior accurately at higher load levels, the analysis must include the effects of local material failures. The CSM testbed software system is a highly modular structural analysis system currently under development at Langley Research Center. One of the primary goals of the CSM testbed is to provide a software environment for the development of advanced structural analysis methods and modern numerical methods which will exploit advanced computer architecture such as parallel-vector processors. Development of a progressive failure analysis method consists of the design and implementation of a processor which will perform the ply-level progressive failure analysis and the development of a geometrically nonlinear analysis procedure which incorporates the progressive failure processor. Regarding the development of the progressive failure processor, two components are required: failure criteria and a degradation model. For the initial implementation, the failure criteria of Hashin will be used. For a matrix failure which typically indicates the development of transverse matrix cracks, the ply properties will be degraded. Work to date includes the design of the progressive failure analysis processor and initial plans for the controlling geometrically nonlinear analysis procedure. The implementation of the progressive failure analysis has begun. Access to the model database and the Hashin failure criteria are completed. Work is in progress on the input/output operations for the processor related data and the finite element model updating procedures. In total the progressive failure processor is approximately one-third complete.

Arenburg, Robert T.↗

NASA NTRS1992

Application of multirate digital filter banks to wideband all-digital phase-locked loops design

A new class of architecture for all-digital phase-locked loops (DPLL's) is presented in this article. These architectures, referred to as parallel DPLL (PDPLL), employ multirate digital filter banks (DFB's) to track signals with a lower processing rate than the Nyquist rate, without reducing the input (Nyquist) bandwidth. The PDPLL basically trades complexity for hardware-processing speed by introducing parallel processing in the receiver. It is demonstrated here that the DPLL performance is identical to that of a PDPLL for both steady-state and transient behavior. A test signal with a time-varying Doppler characteristic is used to compare the performance of both the DPLL and the PDPLL.

Sadr, R.↗

NASA NTRS1993

Application of multirate digital filter banks to wideband all-digital phase-locked loops design

Sadr, Ramin↗

NASA NTRS2004

Parallel 3D Mortar Element Method for Adaptive Nonconforming Meshes

High order methods are frequently used in computational simulation for their high accuracy. An efficient way to avoid unnecessary computation in smooth regions of the solution is to use adaptive meshes which employ fine grids only in areas where they are needed. Nonconforming spectral elements allow the grid to be flexibly adjusted to satisfy the computational accuracy requirements. The method is suitable for computational simulations of unsteady problems with very disparate length scales or unsteady moving features, such as heat transfer, fluid dynamics or flame combustion. In this work, we select the Mark Element Method (MEM) to handle the non-conforming interfaces between elements. A new technique is introduced to efficiently implement MEM in 3-D nonconforming meshes. By introducing an "intermediate mortar", the proposed method decomposes the projection between 3-D elements and mortars into two steps. In each step, projection matrices derived in 2-D are used. The two-step method avoids explicitly forming/deriving large projection matrices for 3-D meshes, and also helps to simplify the implementation. This new technique can be used for both h- and p-type adaptation. This method is applied to an unsteady 3-D moving heat source problem. With our new MEM implementation, mesh adaptation is able to efficiently refine the grid near the heat source and coarsen the grid once the heat source passes. The savings in computational work resulting from the dynamic mesh adaptation is demonstrated by the reduction of the the number of elements used and CPU time spent. MEM and mesh adaptation, respectively, bring irregularity and dynamics to the computer memory access pattern. Hence, they provide a good way to gauge the performance of computer systems when running scientific applications whose memory access patterns are irregular and unpredictable. We select a 3-D moving heat source problem as the Unstructured Adaptive (UA) grid benchmark, a new component of the NAS Parallel Benchmarks (NPB). In this paper, we present some interesting performance results of ow OpenMP parallel implementation on different architectures such as the SGI Origin2000, SGI Altix, and Cray MTA-2.

Feng, Huiyu↗

NASA NTRS2010

A Unified Nonlinear Adaptive Approach for Detection and Isolation of Engine Faults

A challenging problem in aircraft engine health management (EHM) system development is to detect and isolate faults in system components (i.e., compressor, turbine), actuators, and sensors. Existing nonlinear EHM methods often deal with component faults, actuator faults, and sensor faults separately, which may potentially lead to incorrect diagnostic decisions and unnecessary maintenance. Therefore, it would be ideal to address sensor faults, actuator faults, and component faults under one unified framework. This paper presents a systematic and unified nonlinear adaptive framework for detecting and isolating sensor faults, actuator faults, and component faults for aircraft engines. The fault detection and isolation (FDI) architecture consists of a parallel bank of nonlinear adaptive estimators. Adaptive thresholds are appropriately designed such that, in the presence of a particular fault, all components of the residual generated by the adaptive estimator corresponding to the actual fault type remain below their thresholds. If the faults are sufficiently different, then at least one component of the residual generated by each remaining adaptive estimator should exceed its threshold. Therefore, based on the specific response of the residuals, sensor faults, actuator faults, and component faults can be isolated. The effectiveness of the approach was evaluated using the NASA C-MAPSS turbofan engine model, and simulation results are presented.

Tang, Liang↗