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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Taking the MPI standard and the open MPI library to exascale

The Open MPI for Exascale (OMPI-X) project was one of two in the Exascale Computing Project (ECP) focused on advancing the MPI ecosystem. The OMPI-X team worked with other MPI Forum members to champion several important features for inclusion in the MPI 4.0, 4.1, and upcoming 5.0 MPI standard versions, in support of the needs of exascale applications and systems. The team also worked with the larger Open MPI community to bring implementations of these new features and other enhancements into Open MPI, one of the leading open-source implementations of the MPI interface. Here, this paper describes the motivation for the work of the OMPI-X project in the context of exascale computing needs, the nature of the resulting new capabilities in the MPI standard, and how they were implemented in the Open MPI library. Features include improved support for “MPI + X” programming models through partitioned communications and support for user-level threading, sessions, fault tolerance through the user-level fault mitigation (ULFM) and Reinit models, and other features. We also discuss enhancements to Open MPI providing improved performance and scalability for existing features, such as collective operations, one-sided operations, support for the Slingshot-11 interconnect of the initial exascale systems, and how the OMPI-X team worked to improve quality assurance for the Open MPI library, particularly on platforms of interest to the Department of Energy community.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

TEMPI: An Interposed MPI Library with Canonical Representation of MPI Datatypes [Poster]

TEMPI provides a transparent non-contiguous data-handling layer compatible with various MPIs. MPI Datatypes are a powerful abstraction for allowing an MPI implementation to operate on non-contiguous data. CUDA-aware MPI implementations must also manage transfer of such data between the host system and GPU. The non-unique and recursive nature of MPI datatypes mean that providing fast GPU handling is a challenge. The same noncontiguous pattern may be described in a variety of ways, all of which should be treated equivalently by an implementation. This work introduces a novel technique to do this for strided datatypes. Methods for transferring non-contiguous data between the CPU and GPU depends on the properties of the data layout. This work shows that a simple performance model can accurately select the fastest method. Unfortunately, the combination of MPI software and system hardware available may not provide sufficient performance. The contributions of this work are deployed on OLCF Summit through an interposer library which does not require privileged access to the system to use

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Comparing the Performance of Julia on CPUs versus GPUs and Julia-MPI versus Fortran-MPI: a case study with MPAS-Ocean (Version 7.1)

Abstract. Some programming languages are easy to develop at the cost of slow execution, while others are fast at runtime but much more difficult to write. Julia is a programming language that aims to be the best of both worlds – a development and production language at the same time. To test Julia's utility in scientific high-performance computing (HPC), we built an unstructured-mesh shallow water model in Julia and compared it against an established Fortran-MPI ocean model, the Model for Prediction Across Scales–Ocean (MPAS-Ocean), as well as a Python shallow water code. Three versions of the Julia shallow water code were created: for single-core CPU, graphics processing unit (GPU), and Message Passing Interface (MPI) CPU clusters. Comparing identical simulations revealed that our first version of the Julia model was 13 times faster than Python using NumPy, where both used an unthreaded single-core CPU. Further Julia optimizations, including static typing and removing implicit memory allocations, provided an additional 10–20× speed-up of the single-core CPU Julia model. The GPU-accelerated Julia code was almost identical in terms of performance to the MPI parallelized code on 64 processes, an unexpected result for such different architectures. Parallelized Julia-MPI performance was identical to Fortran-MPI MPAS-Ocean for low processor counts and ranges from 2× faster to 2× slower for higher processor counts. Our experience is that Julia development is fast and convenient for prototyping but that Julia requires further investment and expertise to be competitive with compiled codes. We provide advice on Julia code optimization for HPC systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

TEMPI: An Interposed MPI Library with Canonical Representation of MPI Datatypes [Slides]

These points are covered in this presentation: Distributed GPU stencil, non-contiguous data; Equivalence of strided datatypes and minimal representation; GPU communication methods; Deploying on managed systems; Large messages and MPI datatypes; Translation and canonicalization; Automatic model-driven transfer method selection; and Interposed library implementation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Evaluating MPI resource usage summary statistics

The Message Passing Interface (MPI) remains the dominant programming model for scientific applications running on today’s high-performance computing (HPC) systems. This dominance stems from MPI’s powerful semantics for inter-process communication that has enabled scientists to write applications for simulating important physical phenomena. MPI does not, however, specify how messages and synchronization should be carried out. Those details are typically dependent on low-level architecture details and the message characteristics of the application. Therefore, analyzing an application’s MPI resource usage is critical to tuning MPI’s performance on a particular platform. The result of this analysis is typically a discussion of the mean message sizes, queue search lengths and message arrival times for a workload or set of workloads. While a discussion of the arithmetic mean in MPI resource usage might be the most intuitive summary statistic, it is not always the most accurate in terms of representing the underlying data. In this paper, we analyze MPI resource usage for a number of key MPI workloads using an existing MPI trace collector and discrete-event simulator. Our analysis demonstrates that the average, while easy and efficient to calculate, is a useful metric for characterizing latency and bandwidth measurements, but may not be a good representation of application message sizes, match list search depths, or MPI inter-operation times. Additionally, we show that the median and mode are superior choices in many cases. We also observe that the arithmetic mean is not the best representation of central tendency for data that are drawn from distributions that are multi-modal or have heavy tails. Furthermore, the results and analysis of our work provide valuable guidance on how we, as a community, should discuss and analyze MPI resource usage data for scientific applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Logically Parallel Communication for Fast MPI+Threads Applications

Supercomputing applications are increasingly adopting the MPI+threads programming model over the traditional "MPI everywhere" approach to better handle the disproportionate increase in the number of cores compared with other on-node resources. In practice, however, most applications observe a slower performance with MPI+threads primarily because of poor communication performance. Recent research efforts on MPI libraries address this bottleneck by mapping logically parallel communication, that is, operations that are not subject to MPI's ordering constraints to the underlying network parallelism. Domain scientists, however, typically do not expose such communication independence information because the existing MPI-3.1 standard's semantics can be limiting. Researchers had initially proposed user-visible endpoints to combat this issue, but such a solution requires intrusive changes to the standard (new APIs). The upcoming MPI-4.0 standard, on the other hand, allows applications to relax unneeded semantics and provides them with many opportunities to express logical communication parallelism. Here in this article, we show how MPI+threads applications can achieve high performance with logically parallel communication. Through application case studies, we compare the capabilities of the new MPI-4.0 standard with those of the existing one and user-visible endpoints (upper bound). Logical communication parallelism can boost the overall performance of an application by over 2x.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

RMACXX: An Efficient High-Level C++ Interface over MPI-3 RMA

Parallel scientific applications can benefit from de- coupling communication and synchronization. One-sided pro- gramming abstractions, which separate communication from syn- chronization, have in fact served as a motivation for partitioned global address space (PGAS) models. However, the use of PGAS models in application codes in a manner that fully exploits the benefit of these programming models requires significant development effort. Meanwhile, a vast majority of scientific codes already use the Message Passing Interface (MPI) and need convenient features to support application-specific one-sided communication scenarios. MPI Remote Memory Access (RMA) can be employed for this purpose. MPI is a low-level API, however, and developing applications with MPI RMA requires programmers to be well versed in its nuances. We present RMACXX, a compact set of C++ bindings to MPI-3 RMA, to ease the use of MPI RMA. Unlike other PGAS models, which may have interoperability issues with MPI, RMACXX is written on top of MPI and uses the same runtime as MPI. The basic functionality of RMACXX adds only a relatively small number of extra instructions (about 20) to the critical communication path. Moreover, RMACXX provides an intuitive API for building a wide variety of scientific applications while enjoying performance matching handwritten MPI-3 RMA codes.

MPI-3 RMA, one-sided communication, PGAS, C++, exp↗
DOE OSTI2024

MPI nuts and bolts and more [Slides]

MPI (Message-Passing Interface) is a message-passing library interface specification. All parts of this definition are significant. MPI addresses primarily the message-passing parallel programming model, in which data is moved from the address space of one process to that of another process through cooperative operations on each process. . . MPI is a specification, not an implementation; there are multiple implementations of MPI. This specification is for a library interface; MPI is not a language, and all MPI operations are expressed as functions, subroutines, or methods, according to the appropriate language bindings that, for C and Fortran, are part of the MPI standard. MPI Forum is the organization which is responsible for the MPI Specification.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

ChatMPI: LLM-Driven MPI Code Generation for HPC Workloads

The Message Passing Interface (MPI) standard plays a crucial role in enabling scientific applications for parallel computing and is an essential component in high-performance computing (HPC). However, implementing MPI code manually—especially applying a proper domain decomposition and communication pattern—is a challenging and error-prone task. We present ChatMPI, an AI assistant for MPI parallelization of sequential C codes. In our analysis, we focus on testing six essential HPC workloads, which are based on Basic Linear Algebra Subprograms levels 1, 2, and 3 as well as sparse, stencil, and iterative operations. We analyze the process of creating ChatMPI by using the ChatHPC library. This lightweight large language model (LLM)–based infrastructure enables HPC experts to efficiently create and supervise trustworthy AI capabilities for critical HPC software tasks. We study the data required for training (fine-tuning) ChatMPI to generate parallel codes that not only use MPI syntax correctly but also apply HPC techniques to reduce memory communication and maximize performance by using proper work decomposition. With a relatively small training dataset composed of a few dozen prompts and fewer than 15 minutes of fine-tuning on one node equipped with two NVIDIA H100 GPUs, ChatMPI elevates trustworthiness for MPI code generation of current LLMs (e.g., Code Llama, ChatGPT-4o and ChatGPT 5). Additionally, we evaluate the performance of the MPI codes generated by ChatMPI in comparison with the ones generated by ChatGPT-4o and ChatGPT-5. The codes generated by ChatMPI provide up to a 4 × boost in performance by using better problem decomposition, communication patterns, and HPC techniques (e.g., communication avoiding).

Valero Lara, Pedro [ORNL] (ORCID:0000000214794310)↗
DOE OSTI2025

Towards Seamless Interoperability of MPI-OpenMP Applications

A chasm exists between mathematical software libraries written for MPI-based applications and those written for OpenMP applications. Recently, however, PETSc enables the simple use of its MPI-based linear solvers from OpenMP applications. Separately, the MPICH MPI development team has started a new project to allow almost seamless MPI use in OpenMP applications. Both proposed approaches would result in a similar user experience. Here, we discuss the reasons for these projects and their potential for providing more numerical library choices for OpenMP applications, including the unlimited assortment of linear solvers available in PETSc. In addition, we present the performance of an application using the first approach, demonstrating its efficacy.

MPI↗
DOE OSTI2026

A Flexible Forwarding Scheme to Improve Latency-Bound Irregular P2P Communication in MPI

We propose an algorithm to efficiently perform latency-bound communication scenarios that consist of many small messages. In these parallel scenarios, processes typically pass around a lot of small-sized messages of a few KBs of size. Performing communication operations with P2P MPI routines or collective MPI routines (including neighborhood collectives) in such scenarios may not always yield the optimal results and may not resolve the latency bottleneck. To this end, we develop a regular structure called virtual process topology (VPT) on which the messages can be communicated in a structured and controlled manner. Using parameters of this topology, one can tune the rate of aggression in tackling the latency costs. We demonstrate that our communication algorithm is preferable to MPI P2P and collective routines for latency-bound communication and it can easily be adapted only by replacing calls to MPI routines in a parallel application. We show how to adapt existing topology-aware mapping heuristics to address the volume overhead due to communicating messages on the VPT. Moreover, we propose a novel swap-based mapping heuristic to address this overhead by optimizing the maximum volume handled by a process. Experiments on synthetic communication graphs as well as real-world applications such as parallel Canonical Polyadic sparse tensor decomposition and parallel sparse matrix-dense matrix multiplication show that our approach is a powerful way of overcoming the bottlenecks posed by sparse and latency-bound irregular communication.

communication algorithm↗
DOE OSTI2024

Bringing HPE Slingshot 11 support to Open MPI

The Cray HPE Slingshot 11 network is used on the new exascale systems arriving at the U.S. Department of Energy (DoE) laboratories (e.g., Frontier, Aurora, Perlmutter). As such, the support of this network is an important capability to meet the needs of exascale applications. Here, this article highlights recent work to develop supporting infrastructure to enable Open MPI to efficiently support these new platforms. A key component of this effort involves development of a new Open Fabrics Interface (OFI) provider, LinkX. We discuss the design and development of enhancements that take advantage of the new Slingshot 11 network and AMD GPUs. We include performance data from tests on the Frontier supercomputer using synthetic communication benchmarks, and the vendor provided MPI as a baseline for comparison. The tests demonstrate full functionality of Open MPI on the system and initial results show favorable performance when compared to the highly tuned vendor implementation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Optimizing Communication in 2D Grid-Based MPI Applications at Exascale

The new reality of exascale computing faces many challenges in achieving optimal performance on large numbers of nodes. A key challenge is the efficient utilization of the message-passing interface (MPI), a critical component for process communication. This paper explores communication optimization strategies to harness the GPU-accelerated architectures of these supercomputers. We focus on MPI applications where processors form a two-dimensional process grid, a common arrangement in applications involving dense matrix operations. This configuration offers a unique opportunity to implement innovative strategies to improve performance and maintain effective load distribution. We study two applications— Dist-FW (Apsp:all-pair-shortest-path) and HPL-MxP (LU factorization with Mixed precision)—on two accelerated systems: Summit (IBM Power and NVIDIA V100) and Frontier (AMD EPYC and MI250X). These supercomputers are operated by the Oak Ridge Leadership Computing Facility (OLCF) and are currently ranked #1 and #5 on the Top500 list. We show how to scale up both applications to exascale levels and tackle the MPI challenges related to implementation, synchronization, and performance. We also compare the performance of several communication strategies at an unprecedented scale. Accurately predicting application performance becomes crucial for cost reduction as the computational scale grows. To address this, we suggest a hyperbolic model as a better alternative to the traditional one-sided asymptotic model for predicting future application performance at such large scales.

Lu, Hao↗
DOE OSTI2021

Multichannel Analysis of Surface Waves Accelerated (MASWAccelerated): Software for efficient surface wave inversion using MPI and GPUs

Multichannel Analysis of Surface Waves (MASW) is a technique frequently used in geotechnical engineering and engineering geophysics to infer 1D layered models of seismic shear wave velocities in the top tens to hundreds of meters of the subsurface. We aim to accelerate MASW calculations by capitalizing on modern computer hardware available in the workstations of most engineers: multiple cores and graphics processing units (GPUs). We propose new parallel and GPU accelerated algorithms for computing 1D MASW inversion, and provide software implementations in C using Message Passing Interface (MPI) and CUDA. These algorithms take advantage of sparsity that arises in the problem, and the work balance between processes considers typical data trends. We compare our methods to an existing open source Matlab MASW tool. Our serial C implementation achieves a 2x speedup over the Matlab software, and we continue to see improvements by parallelizing the problem with MPI. Here we see nearly perfect strong and weak scaling for uniform data, and improve strong scaling for realistic data by repartitioning the problem to process mapping. By utilizing GPUs available on most modern workstations, we observe an additional 1.3x speedup over the serial C implementation on the first use of the method. We typically repeatedly evaluate theoretical dispersion curves as part of an optimization procedure, and on the GPU the kernel can be cached for faster reuse on later runs. We observe a 3.2x speedup on the cached GPU runs compared to the serial C runs. This work is the first open-source parallel or GPU-accelerated software tool for MASW imaging, and should enable geotechnical engineers to fully utilize all computer hardware at their disposal.

58 GEOSCIENCES↗