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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Performance Evaluation of Remote Memory Access (RMA) Programming on Shared Memory Parallel Computers

The purpose of this study is to evaluate the feasibility of remote memory access (RMA) programming on shared memory parallel computers. We discuss different RMA based implementations of selected CFD application benchmark kernels and compare them to corresponding message passing based codes. For the message-passing implementation we use MPI point-to-point and global communication routines. For the RMA based approach we consider two different libraries supporting this programming model. One is a shared memory parallelization library (SMPlib) developed at NASA Ames, the other is the MPI-2 extensions to the MPI Standard. We give timing comparisons for the different implementation strategies and discuss the performance.

Jin, Hao-Qiang↗
NASA NTRS1996

Parallel NPARC: Implementation and Performance

Version 3 of the NPARC Navier-Stokes code includes support for large-grain (block level) parallelism using explicit message passing between a heterogeneous collection of computers. This capability has the potential for significant performance gains, depending upon the block data distribution. The parallel implementation uses a master/worker arrangement of processes. The master process assigns blocks to workers, controls worker actions, and provides remote file access for the workers. The processes communicate via explicit message passing using an interface library which provides portability to a number of message passing libraries, such as PVM (Parallel Virtual Machine). A Bourne shell script is used to simplify the task of selecting hosts, starting processes, retrieving remote files, and terminating a computation. This script also provides a simple form of fault tolerance. An analysis of the computational performance of NPARC is presented, using data sets from an F/A-18 inlet study and a Rocket Based Combined Cycle Engine analysis. Parallel speedup and overall computational efficiency were obtained for various NPARC run parameters on a cluster of IBM RS6000 workstations. The data show that although NPARC performance compares favorably with the estimated potential parallelism, typical data sets used with previous versions of NPARC will often need to be reblocked for optimum parallel performance. In one of the cases studied, reblocking increased peak parallel speedup from 3.2 to 11.8.

Townsend, S. E.↗
NASA NTRS1999

Performance and Application of Parallel OVERFLOW Codes on Distributed and Shared Memory Platforms

The presentation discusses recent studies on the performance of the two parallel versions of the aerodynamics CFD code, OVERFLOW_MPI and _MLP. Developed at NASA Ames, the serial version, OVERFLOW, is a multidimensional Navier-Stokes flow solver based on overset (Chimera) grid technology. The code has recently been parallelized in two ways. One is based on the explicit message-passing interface (MPI) across processors and uses the _MPI communication package. This approach is primarily suited for distributed memory systems and workstation clusters. The second, termed the multi-level parallel (MLP) method, is simple and uses shared memory for all communications. The _MLP code is suitable on distributed-shared memory systems. For both methods, the message passing takes place across the processors or processes at the advancement of each time step. This procedure is, in effect, the Chimera boundary conditions update, which is done in an explicit "Jacobi" style. In contrast, the update in the serial code is done in more of the "Gauss-Sidel" fashion. The programming efforts for the _MPI code is more complicated than for the _MLP code; the former requires modification of the outer and some inner shells of the serial code, whereas the latter focuses only on the outer shell of the code. The _MPI version offers a great deal of flexibility in distributing grid zones across a specified number of processors in order to achieve load balancing. The approach is capable of partitioning zones across multiple processors or sending each zone and/or cluster of several zones into a single processor. The message passing across the processors consists of Chimera boundary and/or an overlap of "halo" boundary points for each partitioned zone. The MLP version is a new coarse-grain parallel concept at the zonal and intra-zonal levels. A grouping strategy is used to distribute zones into several groups forming sub-processes which will run in parallel. The total volume of grid points in each group are approximately balanced. A proper number of threads are initially allocated to each group, and in subsequent iterations during the run-time, the number of threads are adjusted to achieve load balancing across the processes. Each process exploits the multitasking directives already established in Overflow.

Djomehri, M. Jahed↗
NASA NTRS1994

High Performance Programming Using Explicit Shared Memory Model on Cray T3D1

The Cray T3D system is the first-phase system in Cray Research, Inc.'s (CRI) three-phase massively parallel processing (MPP) program. This system features a heterogeneous architecture that closely couples DEC's Alpha microprocessors and CRI's parallel-vector technology, i.e., the Cray Y-MP and Cray C90. An overview of the Cray T3D hardware and available programming models is presented. Under Cray Research adaptive Fortran (CRAFT) model four programming methods (data parallel, work sharing, message-passing using PVM, and explicit shared memory model) are available to the users. However, at this time data parallel and work sharing programming models are not available to the user community. The differences between standard PVM and CRI's PVM are highlighted with performance measurements such as latencies and communication bandwidths. We have found that the performance of neither standard PVM nor CRI s PVM exploits the hardware capabilities of the T3D. The reasons for the bad performance of PVM as a native message-passing library are presented. This is illustrated by the performance of NAS Parallel Benchmarks (NPB) programmed in explicit shared memory model on Cray T3D. In general, the performance of standard PVM is about 4 to 5 times less than obtained by using explicit shared memory model. This degradation in performance is also seen on CM-5 where the performance of applications using native message-passing library CMMD on CM-5 is also about 4 to 5 times less than using data parallel methods. The issues involved (such as barriers, synchronization, invalidating data cache, aligning data cache etc.) while programming in explicit shared memory model are discussed. Comparative performance of NPB using explicit shared memory programming model on the Cray T3D and other highly parallel systems such as the TMC CM-5, Intel Paragon, Cray C90, IBM-SP1, etc. is presented.

Simon, Horst D.↗
NASA NTRS1994

Performance Measurement, Visualization and Modeling of Parallel and Distributed Programs

This paper presents a methodology for debugging the performance of message-passing programs on both tightly coupled and loosely coupled distributed-memory machines. The AIMS (Automated Instrumentation and Monitoring System) toolkit, a suite of software tools for measurement and analysis of performance, is introduced and its application illustrated using several benchmark programs drawn from the field of computational fluid dynamics. AIMS includes (i) Xinstrument, a powerful source-code instrumentor, which supports both Fortran77 and C as well as a number of different message-passing libraries including Intel's NX Thinking Machines' CMMD, and PVM; (ii) Monitor, a library of timestamping and trace -collection routines that run on supercomputers (such as Intel's iPSC/860, Delta, and Paragon and Thinking Machines' CM5) as well as on networks of workstations (including Convex Cluster and SparcStations connected by a LAN); (iii) Visualization Kernel, a trace-animation facility that supports source-code clickback, simultaneous visualization of computation and communication patterns, as well as analysis of data movements; (iv) Statistics Kernel, an advanced profiling facility, that associates a variety of performance data with various syntactic components of a parallel program; (v) Index Kernel, a diagnostic tool that helps pinpoint performance bottlenecks through the use of abstract indices; (vi) Modeling Kernel, a facility for automated modeling of message-passing programs that supports both simulation -based and analytical approaches to performance prediction and scalability analysis; (vii) Intrusion Compensator, a utility for recovering true performance from observed performance by removing the overheads of monitoring and their effects on the communication pattern of the program; and (viii) Compatibility Tools, that convert AIMS-generated traces into formats used by other performance-visualization tools, such as ParaGraph, Pablo, and certain AVS/Explorer modules.

Yan, Jerry C.↗
NASA NTRS1998

Navier-Stokes Computations on Commodity Computers

In this paper we discuss and demonstrate the feasibility of solving high-fidelity, nonlinear computational fluid dynamics (CFD) problems of practical interest on commodity machines, namely Pentium Pro PC's. Such calculations have now become possible due to the progress in computational power and memory of the off-the-shelf commodity computers, along with the growth in bandwidth and communication speeds of networks. A widely used CFD code known as TLNS3D, which was developed originally on large shared memory computers was selected for this effort. This code has recently been ported to massively parallel processor (MPP) type machines, where natural partitioning along grid blocks is adopted in which one or more blocks are distributed to each of the available processors. In this paper, a similar approach is adapted to port this code to a cluster of Pentium Pro computers. The message passing among the processors is accomplished through the use of standard message passing interface (MPI) libraries. Scaling studies indicate fairly high level of parallelism on such clusters of commodity machines, thus making solutions to Navier-Stokes equations for practical problems more affordable.

Vatsa, Veer N.↗
DOE OSTI2026

When does global attention help: a unified empirical study on atomistic graph learning

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable the modeling of complex physics. While most recent GNNs combine more traditional message passing neural networks (MPNNs) layers to model short-range interactions with more advanced graph transformers (GTs) with global attention mechanisms to model long-range interactions, it is still unclear when global attention mechanisms provide real benefits over well-tuned MPNN layers due to inconsistent implementations, features, or hyperparameter tuning. We introduce the first unified, reproducible benchmarking framework–built on HydraGNN–that enables seamless switching among four controlled model classes: MPNN, MPNN with chemistry/topology encoders, GPS-style hybrids of MPNN with global attention, and fully fused localglobal models with encoders. Using seven diverse open-source datasets for benchmarking across regression and classification tasks, we systematically isolate the contributions of message passing, global attention, and encoder-based feature augmentation. Our study shows that encoder-augmented MPNNs form a robust baseline, while fused localglobal models yield the clearest benefits for properties governed by long-range interaction effects. We further quantify the accuracycompute trade-offs of attention, reporting its overhead in memory. Together, these results establish the first controlled evaluation of global attention in atomistic graph learning and provide a reproducible testbed for future model development.

Equivariant graph neural networks↗
NASA NTRS2008

PyPele Rewritten To Use MPI

A computer program known as PyPele, originally written as a Pythonlanguage extension module of a C++ language program, has been rewritten in pure Python language. The original version of PyPele dispatches and coordinates parallel-processing tasks on cluster computers and provides a conceptual framework for spacecraft-mission- design and -analysis software tools to run in an embarrassingly parallel mode. The original version of PyPele uses SSH (Secure Shell a set of standards and an associated network protocol for establishing a secure channel between a local and a remote computer) to coordinate parallel processing. Instead of SSH, the present Python version of PyPele uses Message Passing Interface (MPI) [an unofficial de-facto standard language-independent application programming interface for message- passing on a parallel computer] while keeping the same user interface. The use of MPI instead of SSH and the preservation of the original PyPele user interface make it possible for parallel application programs written previously for the original version of PyPele to run on MPI-based cluster computers. As a result, engineers using the previously written application programs can take advantage of embarrassing parallelism without need to rewrite those programs.

Hockney, George↗
NASA NTRS2003

Comparing the OpenMP, MPI, and Hybrid Programming Paradigm on an SMP Cluster

Clusters of SMP (Symmetric Multi-Processors) nodes provide support for a wide range of parallel programming paradigms. The shared address space within each node is suitable for OpenMP parallelization. Message passing can be employed within and across the nodes of a cluster. Multiple levels of parallelism can be achieved by combining message passing and OpenMP parallelization. Which programming paradigm is the best will depend on the nature of the given problem, the hardware components of the cluster, the network, and the available software. In this study we compare the performance of different implementations of the same CFD benchmark application, using the same numerical algorithm but employing different programming paradigms.

Jost, Gabriele↗
NASA NTRS2000

Performance Assessment of OVERFLOW on Distributed Computing Environment

The aerodynamic computer code, OVERFLOW, with a multi-zone overset grid feature, has been parallelized to enhance its performance on distributed and shared memory paradigms. Practical application benchmarks have been set to assess the efficiency of code's parallelism on high-performance architectures. The code's performance has also been experimented with in the context of the distributed computing paradigm on distant computer resources using the Information Power Grid (IPG) toolkit, Globus. Two parallel versions of the code, namely OVERFLOW-MPI and -MLP, have developed around the natural coarse grained parallelism inherent in a multi-zonal domain decomposition paradigm. The algorithm invokes a strategy that forms a number of groups, each consisting of a zone, a cluster of zones and/or a partition of a large zone. Each group can be thought of as a process with one or multithreads assigned to it and that all groups run in parallel. The -MPI version of the code uses explicit message-passing based on the standard MPI library for sending and receiving interzonal boundary data across processors. The -MLP version employs no message-passing paradigm; the boundary data is transferred through the shared memory. The -MPI code is suited for both distributed and shared memory architectures, while the -MLP code can only be used on shared memory platforms. The IPG applications are implemented by the -MPI code using the Globus toolkit. While a computational task is distributed across multiple computer resources, the parallelism can be explored on each resource alone. Performance studies are achieved with some practical aerodynamic problems with complex geometries, consisting of 2.5 up to 33 million grid points and a large number of zonal blocks. The computations were executed primarily on SGI Origin 2000 multiprocessors and on the Cray T3E. OVERFLOW's IPG applications are carried out on NASA homogeneous metacomputing machines located at three sites, Ames, Langley and Glenn. Plans for the future will exploit the distributed parallel computing capability on various homogeneous and heterogeneous resources and large scale benchmarks. Alternative IPG toolkits will be used along with sophisticated zonal grouping strategies to minimize the communication time across the computer resources.

Djomehri, M. Jahed↗
NASA NTRS1999

Parallelizing OVERFLOW: Experiences, Lessons, Results

The computer code OVERFLOW is widely used in the aerodynamic community for the numerical solution of the Navier-Stokes equations. Current trends in computer systems and architectures are toward multiple processors and parallelism, including distributed memory. This report describes work that has been carried out by the author and others at Ames Research Center with the goal of parallelizing OVERFLOW using a variety of parallel architectures and parallelization strategies. This paper begins with a brief description of the OVERFLOW code. This description includes the basic numerical algorithm and some software engineering considerations. Next comes a description of a parallel version of OVERFLOW, OVERFLOW/PVM, using PVM (Parallel Virtual Machine). This parallel version of OVERFLOW uses the manager/worker style and is part of the standard OVERFLOW distribution. Then comes a description of a parallel version of OVERFLOW, OVERFLOW/MPI, using MPI (Message Passing Interface). This parallel version of OVERFLOW uses the SPMD (Single Program Multiple Data) style. Finally comes a discussion of alternatives to explicit message-passing in the context of parallelizing OVERFLOW.

Jespersen, Dennis C.↗
NASA NTRS1993

Evaluation Metrics for the Paragon XP/S-15

On February 17th 1993, the Numerical Aerodynamic Simulation (NAS) facility located at the NASA Ames Research Center installed a 224 node Intel Paragon XP/S-15 system. After its installation, the Paragon was found to be in a very immature state and was unable to support a NAS users' workload, composed of a wide range of development and production activities. As a first step towards addressing this problem, we implemented a set of metrics to objectively monitor the system as operating system and hardware upgrades were installed. The metrics were designed to measure four aspects of the system that we consider essential to support our workload: availability, utilization, functionality, and performance. This report presents the metrics collected from February 1993 to August 1993. Since its installation, the Paragon availability has improved from a low of 15% uptime to a high of 80%, while its utilization has remained low. Functionality and performance have improved from merely running one of the NAS Parallel Benchmarks to running all of them faster (between 1 and 2 times) than on the iPSC/860. In spite of the progress accomplished, fundamental limitations of the Paragon operating system are restricting the Paragon from supporting the NAS workload. The maximum operating system message passing (NORMA IPC) bandwidth was measured at 11 Mbytes/s, well below the peak hardware bandwidth (175 Mbytes/s), limiting overall virtual memory and Unix services (i.e. Disk and HiPPI I/O) performance. The high NX application message passing latency (184 microns), three times than on the iPSC/860, was found to significantly degrade performance of applications relying on small message sizes. The amount of memory available for an application was found to be approximately 10 Mbytes per node, indicating that the OS is taking more space than anticipated (6 Mbytes per node).

Traversat, Bernard↗
NASA NTRS1995

MPI-IO: A Parallel File I/O Interface for MPI Version 0.3

Thanks to MPI [9], writing portable message passing parallel programs is almost a reality. One of the remaining problems is file I/0. Although parallel file systems support similar interfaces, the lack of a standard makes developing a truly portable program impossible. Further, the closest thing to a standard, the UNIX file interface, is ill-suited to parallel computing. Working together, IBM Research and NASA Ames have drafted MPI-I0, a proposal to address the portable parallel I/0 problem. In a nutshell, this proposal is based on the idea that I/0 can be modeled as message passing: writing to a file is like sending a message, and reading from a file is like receiving a message. MPI-IO intends to leverage the relatively wide acceptance of the MPI interface in order to create a similar I/0 interface. The above approach can be materialized in different ways. The current proposal represents the result of extensive discussions (and arguments), but is by no means finished. Many changes can be expected as additional participants join the effort to define an interface for portable I/0. This document is organized as follows. The remainder of this section includes a discussion of some issues that have shaped the style of the interface. Section 2 presents an overview of MPI-IO as it is currently defined. It specifies what the interface currently supports and states what would need to be added to the current proposal to make the interface more complete and robust. The next seven sections contain the interface definition itself. Section 3 presents definitions and conventions. Section 4 contains functions for file control, most notably open. Section 5 includes functions for independent I/O, both blocking and nonblocking. Section 6 includes functions for collective I/O, both blocking and nonblocking. Section 7 presents functions to support system-maintained file pointers, and shared file pointers. Section 8 presents constructors that can be used to define useful filetypes (the role of filetypes is explained in Section 2 below). Section 9 presents how the error handling mechanism of MPI is supported by the MPI-IO interface. All this is followed by a set of appendices, which contain information about issues that have not been totally resolved yet, and about design considerations. The reader can find there the motivation behind some of our design choices. More information on this would definitely be welcome and will be included in a further release of this document. The first appendix contains a description of MPI-I0's 'hints' structure which is used when opening a file. Appendix B is a discussion of various issues in the support for file pointers. Appendix C explains what we mean in talking about atomic access. Appendix D provides detailed examples of filetype constructors, and Appendix E contains a collection of arguments for and against various design decisions.

Corbett, Peter↗
NASA NTRS2018

Using the cFS Command and Data Dictionary (CCDD) to Automate Software Development on Habulous

Final paper is attached. The NASA developed Core Flight System (cFS) is a reusable software architecture that has been used on multiple spaceflight missions. By using this framework, missions are able to reuse code from other missions, as well as leverage deployment onto similar computer architectures (i.e. not "reinvent the wheel" on each new mission). The success in the cFS concept can be seen in the large number of projects using cFS at FSW-2018. The Habulous project is an Earth-based testbed, used for hardware and software that may one day be used on a future space habitat unit, with many participating groups from various NASA centers and aerospace organizations around the country. The distributed nature of the various teams mean that defining (and following) an interface definition is critical on the project. Additionally, since various groups use various types of computer hardware (32/64-bit, big/little endian, Linux/VxWorks/Windows) many additional complications exist in interfacing all the various components into a final integrated system. cFS is used on the majority the flight software (FSW) in running in Habulous. But some subsystems have elected to not use cFS, and use a software bridge (called SBN_lib) to interact with the other cFS nodes in Habulous. In order to most efficiently develop the FSW, a central database is used to define and store each message sent by cFS. A Command and Data Dictionary (CDD) is something nearly universal on spacecraft, but as a team we worked to develop the CDD before the SW development was complete, and not treat it like "as built" documentation. To manage the CDD, the cFS Command and Data Dictionary (CCDD) tool was chosen (available from NASA as open source software). The CCDD tool has successfully been used to automate/autocode a large amount of software used on Habulous, as we are hoping to use it to define even more items in the future (time-triggered Ethernet (TTE) network maps, CPU scheduling). Additionally, Habulous has been exploring the use of cFS on wildly heterogeneous CPUs, and how to coordinate all those various machines using/extending the software bus – network (SBN) application in cFS, as well as TTE to coordinate message passing between various synchronized machines. The major topics to be covered in the presentation are: (1) Updating to the CCSDS_v2 extended headers (and using CPU# as subsystem ID). (2) Managing all the message identification numbers for each cFS message sent/received on any of the various CPUs. (3) Using the CCDD information to automatically generate the C-header files that define the structure for all software bus (SB) commands/telemetry messages. (4) Using the CCDD to automatically generate XML Telemetry and Command Exchange (XTCE) files, which streams display production/integration/testing in a web based display architecture (5) Extending/customizing SBN to pass messages among computers on multiple networks. (6) Using "Protobetter" inside SBN to manage different endian-ness/architectures. (7) Using SBN_lib to allow non-cFS node to communicate with cFS nodes. (8) Developing TTE network and schedule tables for all the various CPUs to use.

Hirsh, Robert L.↗
NASA NTRS1991

Extensions to the Parallel Real-Time Artificial Intelligence System (PRAIS) for fault-tolerant heterogeneous cycle-stealing reasoning

Extensions to an architecture for real-time, distributed (parallel) knowledge-based systems called the Parallel Real-time Artificial Intelligence System (PRAIS) are discussed. PRAIS strives for transparently parallelizing production (rule-based) systems, even under real-time constraints. PRAIS accomplished these goals (presented at the first annual C Language Integrated Production System (CLIPS) conference) by incorporating a dynamic task scheduler, operating system extensions for fact handling, and message-passing among multiple copies of CLIPS executing on a virtual blackboard. This distributed knowledge-based system tool uses the portability of CLIPS and common message-passing protocols to operate over a heterogeneous network of processors. Results using the original PRAIS architecture over a network of Sun 3's, Sun 4's and VAX's are presented. Mechanisms using the producer-consumer model to extend the architecture for fault-tolerance and distributed truth maintenance initiation are also discussed.

Goldstein, David↗
NASA NTRS1990

PRAIS: Distributed, real-time knowledge-based systems made easy

This paper discusses an architecture for real-time, distributed (parallel) knowledge-based systems called the Parallel Real-time Artificial Intelligence System (PRAIS). PRAIS strives for transparently parallelizing production (rule-based) systems, even when under real-time constraints. PRAIS accomplishes these goals by incorporating a dynamic task scheduler, operating system extensions for fact handling, and message-passing among multiple copies of CLIPS executing on a virtual blackboard. This distributed knowledge-based system tool uses the portability of CLIPS and common message-passing protocols to operate over a heterogeneous network of processors.

Goldstein, David G.↗
DOE OSTI2025

HydraGNN v4.0

The new version of HydraGNN v4.0 provides additional core capabilities, such as: Inclusion of multi-body atomistic cluster expansion MACE, polarizable atom interaction neural network PAINN, and equivariant principal neighborhood aggregation (PNAEq) among the message passing layers supported -Inclusion of graph transformers to directly model long-range interactions between nodes that are distant in the graph topology Integration of graph transformers with message passing layers by combining the graph embedding generated by the two mechanisms, which allows for an improved expressivity of the HydraGNN architecture Improved re-implementation of multi-task learning (MTL) to allow its use for stabilized training across imbalanced, multi-source, multi-fidelity data Introduction of multi-task parallelism, a newly proposed type of model parallelism specifically for MTL architectures, which allows to dispatch different output decoding heads to different GPU devices Integration of multi-task parallelism with pre-existing distributed data parallelism to enable a 2D parallelization for distributed training Improved portability of the distributed training across Intel GPUs, which has been testes on ALCF exascale supercomputer Aurora Inclusion of 2-level fine-grained energy profilers portable across NVIDIA, AMD, and Intel GPUs to monitor the power and energy consumption associated with different functions executed by the HydraGNN code during data pre-load and training Restructuring of previous examples and inclusion of new sets of examples to illustrate the download, preprocess, and training of HydraGNN models on new large-scale open-source datasets for atomistic materials modeling (e.g., Alexandria, Transition1x, OMat24, OMol25)

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗
NASA NTRS1994

Automated Instrumentation and Monitoring of Data Movement for Parallel Programs

Writing efficient parallel programs is complicated by the need to select the right data structure alignments and distributions, which determine the nature and volume of inter-processor communications. A large number of performance tools for parallel programs have been developed recently to expose these inter-processor communications. However, none of them support performance views or provide statistics in terms of inter-processor data structure interactions. A performance tool that tracks the interaction between individual data structures and the context of these interactions is essential for understanding the performance of both explicit message passing programs and data-parallel languages such as HPF. In this paper we discuss the use of compiler front end tools for automatically tracking data structure movements in message passing programs, and low-overhead monitoring and postprocessing of such codes. We demonstrate that robust instrumentation and low overhead monitoring of inter-processor data structure movements is possible, with the use of a number of NAS benchmark codes, run on the i860 hypercube. We also show that the data so collected can be used effectively by post processing tools that expose performance bottlenecks using graphical displays and performance statistics.

Sarukkai, Sekhar↗