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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

A Study on the Effect of Communication Performance on Message-Passing Parallel Programs: Methodology and Case Studies

From a source-program perspective, the performance achieved on distributed/parallel systems is governed by the underlying message-passing library overhead and the network capabilities of the architecture. Studying the impact of changes in these features on the source-program. can have a significant influence in the development of next-generation system designs. In this paper we introduce a simple and robust tool that can be used for this purpose. This tool is based on event-driven simulation of programs that generates a new set of trace events - that preserves causality and partial order - corresponding to the expected execution of the program in the simulated environment. Trace events can be visualized and source-level profile information can be used to pin-point locations of program which are most significantly affected with changing system parameters in the simulated environment. We present a number of examples from the NAS benchmark suite, executed on the Intel Paragon and iPSC/860 that are used to identify and expose performance bottlenecks with varying system parameters. Specific aspects of the system that significantly effect these benchmarks are presented and discussed,

Sarukkai, Sekhar R.↗
DOE OSTI2020

Understanding the use of message passing interface in exascale proxy applications

The Exascale Computing Project (ECP) focuses on the development of future exascale-capable applications. Most ECP applications use the message passing interface (MPI) as their parallel programming model with mini-apps serving as proxies. This paper explores the explicit usage of MPI in such ECP proxy applications. We empirically analyze 14 proxy applications from the ECP Proxy Apps Suite. We use the MPI profiling interface (PMPI) to collect MPI usage patterns in ECP proxy apps. Our analysis shows that a small subset of features from MPI is commonly used in the proxies of exascale-capable applications, even when they reference third-party libraries. Overall, this study is intended to provide a better understanding of the use of MPI in current exascale applications. The findings can help focus software investments made for exascale systems in the MPI middleware including optimization, fault-tolerance, tuning, and hardware-offload.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

Optimal mapping of neural-network learning on message-passing multicomputers

A minimization of learning-algorithm completion time is sought in the present optimal-mapping study of the learning process in multilayer feed-forward artificial neural networks (ANNs) for message-passing multicomputers. A novel approximation algorithm for mappings of this kind is derived from observations of the dominance of a parallel ANN algorithm over its communication time. Attention is given to both static and dynamic mapping schemes for systems with static and dynamic background workloads, as well as to experimental results obtained for simulated mappings on multicomputers with dynamic background workloads.

Chu, Lon-Chan↗
NASA NTRS1994

Automated Performance Prediction of Message Passing Parallel Programs

As the trend toward massively parallel processing continues, the need for tools that can predict scalability trends becomes greater. While high level languages Eke HPF have come into greater use, explicit message-passing programs proliferate, and will probably do so for some time, thanks to the onslaught of standards such as MPI. Much work has been done to create simple models that represent important characteristics of parallel programs, such as latency, network contention, and communication volume. But many of these methods still require a substantial manual effort to represent an application in the model's format. The YAPP ("Yet Another Performance Predictor") tool is an attempt to automate the formation of first-order expressions for completion time, with a minimum of programmer assistance. The content of this paper is as follows: First, we explore the implementation details of YAPP, and illustrate with examples some of the reasons that automatic prediction is difficult. In the following sections, we present the results of four applications, using execution traces on the Intel i860, analyze the error in YAPP's predictions, explain the limitations of our implementation, and mention possible future additions. In particular, we illustrate techniques used to identify pipeline communication patterns, and demonstrate how compiler analysis and regression are combined to automate the prediction process.

Block, Robert J.↗
NASA NTRS1987

Mapping a battlefield simulation onto message-passing parallel architectures

Perhaps the most critical problem in distributed simulation is that of mapping: without an effective mapping of workload to processors the speedup potential of parallel processing cannot be realized. Mapping a simulation onto a message-passing architecture is especially difficult when the computational workload dynamically changes as a function of time and space; this is exactly the situation faced by battlefield simulations. This paper studies an approach where the simulated battlefield domain is first partitioned into many regions of equal size; typically there are more regions than processors. The regions are then assigned to processors; a processor is responsible for performing all simulation activity associated with the regions. The assignment algorithm is quite simple and attempts to balance load by exploiting locality of workload intensity. The performance of this technique is studied on a simple battlefield simulation implemented on the Flex/32 multiprocessor. Measurements show that the proposed method achieves reasonable processor efficiencies. Furthermore, the method shows promise for use in dynamic remapping of the simulation.

Nicol, David M.↗
DOE OSTI2023

A Reference Implementation for a Quantum Message Passing Interface

Practical applications of quantum computing are currently limited by the number of qubits that can be set with reasonable fidelities for each system. Therefore, a distributed quantum computing system with multiple quantum computers coherently connected is highly demanding. To realize the internode communication of quantum information, the software interface, Quantum Message Passing Interface (QMPI), leveraging the framework built for classical MPI but taking advantage of quantum teleportation to communicate between different quantum nodes was proposed. In this project, we develop the QMPI with point-to-point and collective operations in Qiskit and characterize its performance by demonstrating the application implementations. Moreover, we developed a new technique for optimizing collective communication of the distributed quantum programs with Multi-Controlled Toffoli gates. This technique beats the state-of-the-art in terms of fidelity and the number of remote EPR pairs consumed in both simulations and experiments.

Shi, Yue↗
NASA NTRS1994

Multi-partitioning for ADI-schemes on message passing architectures

A kind of discrete-operator splitting called Alternating Direction Implicit (ADI) has been found to be useful in simulating fluid flow problems. In particular, it is being used to study the effects of hot exhaust jets from high performance aircraft on landing surfaces. Decomposition techniques that minimize load imbalance and message-passing frequency are described. Three strategies that are investigated for implementing the NAS Scalar Penta-diagonal Parallel Benchmark (SP) are transposition, pipelined Gaussian elimination, and multipartitioning. The multipartitioning strategy, which was used on Ethernet, was found to be the most efficient, although it was considered only a moderate success because of Ethernet's limited communication properties. The efficiency derived largely from the coarse granularity of the strategy, which reduced latencies and allowed overlap of communication and computation.

Vanderwijngaart, Rob F.↗
NASA NTRS1998

Charon Message-Passing Toolkit for Scientific Computations

The Charon toolkit for piecemeal development of high-efficiency parallel programs for scientific computing is described. The portable toolkit, callable from C and Fortran, provides flexible domain decompositions and high-level distributed constructs for easy translation of serial legacy code or design to distributed environments. Gradual tuning can subsequently be applied to obtain high performance, possibly by using explicit message passing. Charon also features general structured communications that support stencil-based computations with complex recurrences. Through the separation of partitioning and distribution, the toolkit can also be used for blocking of uni-processor code, and for debugging of parallel algorithms on serial machines. An elaborate review of recent parallelization aids is presented to highlight the need for a toolkit like Charon. Some performance results of parallelizing the NAS Parallel Benchmark SP program using Charon are given, showing good scalability.

VanderWijngaart, Rob F.↗
NASA NTRS1998

Charon Message-Passing Toolkit for Scientific Computations

The Charon toolkit for piecemeal development of high-efficiency parallel programs for scientific computing is described. The portable toolkit, callable from C and Fortran, provides flexible domain decompositions and high-level distributed constructs for easy translation of serial legacy code or design to distributed environments. Gradual tuning can subsequently be applied to obtain high performance, possibly by using explicit message passing. Charon also features general structured communications that support stencil-based computations with complex recurrences. Through the separation of partitioning and distribution, the toolkit can also be used for blocking of uni-processor code, and for debugging of parallel algorithms on serial machines. An elaborate review of recent parallelization aids is presented to highlight the need for a toolkit like Charon. Some performance results of parallelizing the NAS Parallel Benchmark SP program using Charon are given, showing good scalability. Some performance results of parallelizing the NAS Parallel Benchmark SP program using Charon are given, showing good scalability.

VanderWijngarrt, Rob F.↗
NASA NTRS1996

Monitoring Data-Structure Evolution in Distributed Message-Passing Programs

Monitoring the evolution of data structures in parallel and distributed programs, is critical for debugging its semantics and performance. However, the current state-of-art in tracking and presenting data-structure information on parallel and distributed environments is cumbersome and does not scale. In this paper we present a methodology that automatically tracks memory bindings (not the actual contents) of static and dynamic data-structures of message-passing C programs, using PVM. With the help of a number of examples we show that in addition to determining the impact of memory allocation overheads on program performance, graphical views can help in debugging the semantics of program execution. Scalable animations of virtual address bindings of source-level data-structures are used for debugging the semantics of parallel programs across all processors. In conjunction with light-weight core-files, this technique can be used to complement traditional debuggers on single processors. Detailed information (such as data-structure contents), on specific nodes, can be determined using traditional debuggers after the data structure evolution leading to the semantic error is observed graphically.

Sarukkai, Sekhar R.↗
NASA NTRS2000

Charon Message-Passing Toolkit for Scientific Computations

Charon is a library, callable from C and Fortran, that aids the conversion of structured-grid legacy codes-such as those used in the numerical computation of fluid flows-into parallel, high- performance codes. Key are functions that define distributed arrays, that map between distributed and non-distributed arrays, and that allow easy specification of common communications on structured grids. The library is based on the widely accepted MPI message passing standard. We present an overview of the functionality of Charon, and some representative results.

VanderWijngaart, Rob F.↗
NASA NTRS1994

Toward Automatic Scalability Analysis of Message Passing Programs: A Case Study

Scalability analysis forms an important component of any performance debugging cycle, for massively parallel machines. However, tools that help in performing such analysis for parallel programs are non-existent. The primary reason for lack of such tools is the complexity involved in capturing program dynamics such as communication-computation overlap, communication latencies and memory hierarchy reference patterns. In this paper, we highlight some simple techniques that can be used to study scalability of explicit message-passing parallel programs that consider the above issues. We start from the high level source code and use a methodology for deducing communication characteristics and its impact on the total execution time of the program. The approach is validated with the help of a pipelined method for solving scalar tri-diagonal systems, using both simulations and symbolic cost models on the Intel hypercube.

Sarukkai, Sekhar R.↗
NASA NTRS1994

Parallelized direct execution simulation of message-passing parallel programs

As massively parallel computers proliferate, there is growing interest in findings ways by which performance of massively parallel codes can be efficiently predicted. This problem arises in diverse contexts such as parallelizing computers, parallel performance monitoring, and parallel algorithm development. In this paper we describe one solution where one directly executes the application code, but uses a discrete-event simulator to model details of the presumed parallel machine such as operating system and communication network behavior. Because this approach is computationally expensive, we are interested in its own parallelization specifically the parallelization of the discrete-event simulator. We describe methods suitable for parallelized direct execution simulation of message-passing parallel programs, and report on the performance of such a system, Large Application Parallel Simulation Environment (LAPSE), we have built on the Intel Paragon. On all codes measured to date, LAPSE predicts performance well typically within 10 percent relative error. Depending on the nature of the application code, we have observed low slowdowns (relative to natively executing code) and high relative speedups using up to 64 processors.

Dickens, Phillip M.↗
DOE OSTI2019

Message-passing neural networks for high-throughput polymer screening

Machine learning methods have shown promise in predicting molecular properties, and given sufficient training data, machine learning approaches can enable rapid high-throughput virtual screening of large libraries of compounds. Graph-based neural network architectures have emerged in recent years as the most successful approach for predictions based on molecular structure and have consistently achieved the best performance on benchmark quantum chemical datasets. However, these models have typically required optimized 3D structural information for the molecule to achieve the highest accuracy. These 3D geometries are costly to compute for high levels of theory, limiting the applicability and practicality of machine learning methods in high-throughput screening applications. In this study, we present a new database of candidate molecules for organic photovoltaic applications, comprising approximately 91,000 unique chemical structures. Compared to existing datasets, this dataset contains substantially larger molecules (up to 200 atoms) as well as extrapolated properties for long polymer chains. We show that message-passing neural networks trained with and without 3D structural information for these molecules achieve similar accuracy, comparable to state-of-the-art methods on existing benchmark datasets. Furthermore, these results therefore emphasize that for larger molecules with practical applications, near-optimal prediction results can be obtained without using optimized 3D geometry as an input. We further show that learned molecular representations can be leveraged to reduce the training data required to transfer predictions to a new density functional theory functional.

14 SOLAR ENERGY↗
DOE OSTI2024

Designing and prototyping extensions to the Message Passing Interface in MPICH

As HPC system architectures and the applications running on them continue to evolve, the MPI standard itself must evolve. The trend in current and future HPC systems toward powerful nodes with multiple CPU cores and multiple GPU accelerators makes efficient support for hybrid programming critical for applications to achieve high performance. However, the support for hybrid programming in the MPI standard has not kept up with recent trends. The MPICH implementation of MPI provides a platform for implementing and experimenting with new proposals and extensions to fill this gap and to gain valuable experience and feedback before the MPI Forum can consider them for standardization. Here, in this work, we detail six extensions implemented in MPICH to increase MPI interoperability with other runtimes, with a specific focus on heterogeneous architectures. First, the extension to MPI generalized requests lets applications integrate asynchronous tasks into MPI’s progress engine. Second, the iovec extension to datatypes lets applications use MPI datatypes as a general-purpose data layout API beyond just MPI communications. Third, a new MPI object, MPIX_Stream, can be used by applications to identify execution contexts beyond MPI processes, including threads and GPU streams. MPIX stream communicators can be created to make existing MPI functions thread-aware and GPU-aware, thus providing applications with explicit ways to achieve higher performance. Fourth, MPIX Streams are extended to support the enqueue semantics for offloading MPI communications onto a GPU stream context. Fifth, thread communicators allow MPI communicators to be constructed with individual threads, thus providing a new level of interoperability between MPI and on-node runtimes such as OpenMP. Lastly, we present an extension to invoke MPI progress, which lets users spawn progress threads with fine-grained control to adapt the communication performance to their application designs. We describe the design and implementation of these extensions, provide usage examples, and highlight their expected benefits with performance results.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1989

Concurrent hypercube system with improved message passing

A network of microprocessors, or nodes, are interconnected in an n-dimensional cube having bidirectional communication links along the edges of the n-dimensional cube. Each node's processor network includes an I/O subprocessor dedicated to controlling communication of message packets along a bidirectional communication link with each end thereof terminating at an I/O controlled transceiver. Transmit data lines are directly connected from a local FIFO through each node's communication link transceiver. Status and control signals from the neighboring nodes are delivered over supervisory lines to inform the local node that the neighbor node's FIFO is empty and the bidirectional link between the two nodes is idle for data communication. A clocking line between neighbors, clocks a message into an empty FIFO at a neighbor's node and vica versa. Either neighbor may acquire control over the bidirectional communication link at any time, and thus each node has circuitry for checking whether or not the communication link is busy or idle, and whether or not the receive FIFO is empty. Likewise, each node can empty its own FIFO and in turn deliver a status signal to a neighboring node indicating that the local FIFO is empty. The system includes features of automatic message rerouting, block message transfer and automatic parity checking and generation.

Peterson, John C.↗