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All sourcesNASA NTRSDOE OSTI
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 NTRS2002

NAS Parallel Benchmarks I/O Version 2.4

We describe a benchmark problem, based on the Block-Tridiagonal (BT) problem of the NAS Parallel Benchmarks (NPB), which is used to test the output capabilities of high-performance computing systems, especially parallel systems. We also present a source code implementation of the benchmark, called NPBIO2.4-MPI, based on the MPI implementation of NPB, using a variety of ways to write the computed solutions to file.

Wong, Parkson↗
DOE OSTI2022

An Algorithmic and Software Pipeline for Very Large Scale Scientific Data Compression with Error Guarantees

Efficient data compression is becoming increasingly critical for storing scientific data because many scientific applications produce vast amounts of data. This paper presents an end-to-end algorithmic and software pipeline for data compression that guarantees both error bounds on primary data (PD) and derived data, known as Quantities of Interest (QoI).We demonstrate the effectiveness of the pipeline by compressing fusion data generated by a large-scale fusion code, XGC, which produces tens of petabytes of data in a single day. We demonstrate that the compression is conducted by setting aside computational resources known as staging nodes, and does not impact the simulation performance. For efficient parallel I/O, the pipeline uses ADIOS2, which many codes such as XGC already use for their parallel I/O. We show that our approach can compress the data by two orders of magnitude while guaranteeing high accuracy on both the PD and the QoIs. Further, the amount of resources required by compression is a few percent of the resources required by simulation while ensuring that the compression time for each stage is less than the corresponding simulation time.This pipeline consists of three main steps. The first step decomposes the data using domain decomposition into small subdomains. Each subdomain is then compressed independently to achieve a high level of parallelism. The second step uses existing techniques that guarantee error bounds on the primary data for each subdomain. The third step uses a post-processing optimization technique based on Lagrange multipliers to reduce the QoI errors for data corresponding to each subdomain. The Lagrange multipliers generated can be further quantized or truncated to increase the compression level. All of the above characteristics of our approach make it highly practical to apply on-the-fly compression while guaranteeing errors on QoIs that are critical to the scientists.

Banerjee, Tania↗
DOE OSTI2023

Julia as a unifying end-to-end workflow language on the Frontier exascale system

We evaluate Julia as a single language and ecosystem paradigm powered by LLVM to develop workflow components for high-performance computing. We run a Gray-Scott, 2-variable diffusion-reaction application using a memory-bound, 7-point stencil kernel on Frontier, the US Department of Energy’s first exascale supercomputer. We evaluate the performance, scaling, and trade-offs of (i) the computational kernel on AMD’s MI250x GPUs, (ii) weak scaling up to 4,096 MPI processes/GPUs or 512 nodes, (iii) parallel I/O writes using the ADIOS2 library bindings, and (iv) Jupyter Notebooks for interactive analysis. Results suggest that although Julia generates a reasonable LLVM-IR, a nearly 50% performance difference exists vs. native AMD HIP stencil codes when running on the GPUs. As expected, we observed near-zero overhead when using MPI and parallel I/O bindings for system-wide installed implementations. Consequently, Julia emerges as a compelling high-performance and high-productivity workflow composition language, as measured on the fastest supercomputer in the world.

Godoy, William↗
NASA NTRS1997

Data Partitioning and Load Balancing in Parallel Disk Systems

Parallel disk systems provide opportunities for exploiting I/O parallelism in two possible waves, namely via inter-request and intra-request parallelism. In this paper we discuss the main issues in performance tuning of such systems, namely striping and load balancing, and show their relationship to response time and throughput. We outline the main components of an intelligent, self-reliant file system that aims to optimize striping by taking into account the requirements of the applications and performs load balancing by judicious file allocation and dynamic redistributions of the data when access patterns change. Our system uses simple but effective heuristics that incur only little overhead. We present performance experiments based on synthetic workloads and real-life traces.

Scheuermann, Peter↗
DOE OSTI2020

Characterization and identification of HPC applications at leadership computing facility

High Performance Computing (HPC) is an important method for scientific discovery via large-scale simulation, data analysis, or artificial intelligence. Leadership-class supercomputers are expensive, but essential to run large HPC applications. The Petascale era of supercomputers began in 2008, with the first machines achieving performance in excess of one petaflops, and with the advent of new supercomputers in 2021 (e.g., Aurora, Frontier), the Exascale era will soon begin. However, the high theoretical computing capability (i.e., peak FLOPS) of a machine is not the only meaningful target when designing a supercomputer, as the resources demand of applications varies. A deep understanding of the characterization of applications that run on a leadership supercomputer is one of the most important ways for planning its design, development and operation. In order to improve our understanding of HPC applications, user demands and resource usage characteristics, we perform correlative analysis of various logs for different subsystems of a leadership supercomputer. This analysis reveals surprising, sometimes counter-intuitive patterns, which, in some cases, conflicts with existing assumptions, and have important implications for future system designs as well as supercomputer operations. For example, our analysis shows that while the applications spend significant time on MPI, most applications spend very little time on file I/O. Combined analysis of hardware event logs and task failure logs show that the probability of a hardware FATAL event causing task failure is low. Combined analysis of control system logs and file I/O logs reveals that pure POSIX I/O is used more widely than higher level parallel I/O. Based on holistic insights of the application gained through combined and co-analysis of multiple logs from different perspectives and general intuition, we engineer features to "fingerprint" HPC applications. We use t-SNE (a machine learning technique for dimensionality reduction) to validate the explainability of our features and finally train machine learning models to identify HPC applications or group those with similar characteristic. To the best of our knowledge, this is the first work that combines logs on file I/O, computing, and inter-node communication for insightful analysis of HPC applications in production.

Liu, Zhengchun↗
NASA NTRS2021

Lunar Terrain Coverage Analysis Data Delivery Workflow

In this work, we are developing a lunar terrain database to enable fast rendering of sun illumination and earth visibility for a proposed coverage analysis tool. This development will advance lunar mission design and formulation for current and future communications architectures, and will aid in lunar surface mission planning and communications/navigation operations. Our effort can be described in three steps: (1) we parallelize a brute force algorithm, which computes elevation masks from laser altimetry data acquired by the Lunar Reconnaissance Orbiter’s (LRO) Lunar Orbiter Laser Altimeter (LOLA); (2) we investigate parallel I/O methods to store terrain mask information from step (1) into a parallel file system; and (3) we finally deliver data to the terrain coverage analysis tool.

Michels, Dominik↗
NASA NTRS2019

Leveraging STARE for Co-aligned Data Locality with netCDF and Python MPI

We have leveraged STARE indexing to package partitioned data chunks from diverse datasets into netCDF files, distributed them on a cluster of 16 lightweight nodes with their placements spatiotemporally co-aligned, and demonstrated a few integrative analyses using netCDF parallel I/O and Python MPI, with single-user performance and scalability comparable to, or even better than, that of a parallel array database management system (ADBMS) such as SciDB. However, records of the node location and STARE index ranges for each data chunk, similar to the chunk maps of SciDB, must be maintained and consulted by the I/O and analysis code for coordinating the analytic operations in parallel, in order to achieve the good performance and scalability.

Kwo-Sen Kuo↗
DOE OSTI2025

Recorder trace files of 91 built-in tests from three widely-used I/O libraries (Dec 24, 2024)

This dataset contains the Recorder trace files of 91 built-in tests from three widely-used I/O libraries. It was utilized in our IPDPS'25 paper, "VerifyIO: Verifying Adherence to Parallel I/O Consistency Semantics". The dataset can be used to reproduce the results presented in the paper and to conduct additional analyses

Wang, Chen [Lawrence Livermore National Laboratory↗
DOE OSTI2022

ornladios/ADIOS2

ADIOS 2: The Adaptable Input Output (I/O) System version 2 is an open-source framework that addresses scientific data management challenges, e.g. scalable parallel I/O, as we approach the exascale era in high-performance computing (HPC). ADIOS 2 bindings are available in C++, C, Fortran, Python and can be used on supercomputers, personal computers, and cloud systems running on Linux, macOS and Windows. ADIOS 2 has out-of-the-box support for MPI and serial environments.

ECP↗
DOE OSTI2025

HPDR: High-Performance Portable Scientific Data Reduction Framework

The rapid growth in scientific data generation is outpacing advancements in computing systems necessary for efficient storage, transfer, and analysis, particularly in the context of exascale computing. With the deployment of first-generation exascale computing systems and next-generation experimental facilities, this gap is widening and necessitates effective data reduction techniques to manage enormous data volumes. Over the past decade, various data reduction methods, including lossless compression, error-controlled lossy compression, and data refactoring, have been developed to accelerate I/O in scientific workflows. Despite significant reductions in data volume, these methods introduce considerable computational overhead, which can become the new bottleneck in data processing. To mitigate this, GPU-accelerated data reduction algorithms have been introduced. However, challenges remain in their integration into exascale workflows, including limited portability across different GPU architectures, substantial memory transfer overhead, and reduced scalability on dense multi-GPU systems. To address these challenges, we propose HPDR, a high-performance and portable data reduction framework. HPDR is designed to enable the execution of state-of-the-art reduction algorithms across diverse processor architectures while reducing memory transfer overhead to 2.3 % of the original, resulting in up to 3.5× faster throughput compared to existing solutions. It also achieves up to 96% of the theoretical speedup in multi-GPU settings. In addition, evaluations on accelerating I/O operations at scale up to 1,024 nodes of the Frontier supercomputer demonstrate that HPDR can achieve up to 103 TB/s reduction throughput, providing up to 4× acceleration in parallel I/O performance compared to existing data reduction routines. This work highlights the potential of HPDR to significantly enhance data reduction efficiency in exascale computing environments.

Chen, Jieyang [University of Oregon]↗
NASA NTRS1988

PC-CUBE: A Personal Computer Based Hypercube

PC-CUBE is an ensemble of IBM PCs or close compatibles connected in the hypercube topology with ordinary computer cables. Communication occurs at the rate of 115.2 K-band via the RS-232 serial links. Available for PC-CUBE is the Crystalline Operating System III (CrOS III), Mercury Operating System, CUBIX and PLOTIX which are parallel I/O and graphics libraries. A CrOS performance monitor was developed to facilitate the measurement of communication and computation time of a program and their effects on performance. Also available are CXLISP, a parallel version of the XLISP interpreter; GRAFIX, some graphics routines for the EGA and CGA; and a general execution profiler for determining execution time spent by program subroutines. PC-CUBE provides a programming environment similar to all hypercube systems running CrOS III, Mercury and CUBIX. In addition, every node (personal computer) has its own graphics display monitor and storage devices. These allow data to be displayed or stored at every processor, which has much instructional value and enables easier debugging of applications. Some application programs which are taken from the book Solving Problems on Concurrent Processors (Fox 88) were implemented with graphics enhancement on PC-CUBE. The applications range from solving the Mandelbrot set, Laplace equation, wave equation, long range force interaction, to WaTor, an ecological simulation.

Ho, Alex↗
DOE OSTI2021

Adaptive Spatially Aware I/O for Multiresolution Particle Data Layouts

Large-scale simulations on nonuniform particle distributions that evolve over time are widely used in cosmology, molecular dynamics, and engineering. Such data are often saved in an unstructured format that neither preserves spatial locality nor provides metadata for accelerating spatial or attribute subset queries, leading to poor performance of visualization tasks. Furthermore, the parallel I/O strategy used typically writes a file per process or a single shared file, neither of which is portable or scalable across different HPC systems. We present a portable technique for scalable, spatially aware adaptive aggregation that preserves spatial locality in the output. We evaluate our approach on two supercomputers, Stampede2 and Summit, and demonstrate that it outperforms prior approaches at scale, achieving up to 2.5× faster writes and reads for nonuniform distributions. Furthermore, the layout written by our method is directly suitable for visual analytics, supporting low-latency reads and attribute-based filtering with little overhead.

Usher, Will↗
NASA NTRS1996

An MPA-IO interface to HPSS

This paper describes an implementation of the proposed MPI-IO (Message Passing Interface - Input/Output) standard for parallel I/O. Our system uses third-party transfer to move data over an external network between the processors where it is used and the I/O devices where it resides. Data travels directly from source to destination, without the need for shuffling it among processors or funneling it through a central node. Our distributed server model lets multiple compute nodes share the burden of coordinating data transfers. The system is built on the High Performance Storage System (HPSS), and a prototype version runs on a Meiko CS-2 parallel computer.

Jones, Terry↗
NASA NTRS1996

An MPI-IO Interface to HPSS

This paper describes an implementation of the proposed MPI-IO standard for parallel I/O. Our system uses third-party transfer to move data over an external network between the processors where it is used and the I/O devices where it resides. Data travels directly from source to destination, without the need for shuffling it among processors or funneling it through a central node. Our distributed server model lets multiple compute nodes share the burden of coordinating data transfers. The system is built on the High Performance Storage System (HPSS), and a prototype version runs on a Meiko CS-2 parallel computer.

Parallel Processing↗
DOE OSTI2021

Battle of the Defaults: Extracting Performance Characteristics of HDF5 under Production Load

Popular parallel I/O libraries, such as HDF5, provide tuning parameters to obtain superior performance. However, the selection of effective parameters on production systems is complex due to the interdependence of I/O software and file system layers. Hence, application developers typically use the default parameters and often experience poor I/O performance. This work conducts a benchmarking-based analysis on the HDF5 behaviors with a wide variety of I/O patterns to extract performance characteristics under the production workload. To make the analysis well controlled, we exercise I/O benchmarks on POSIX-IO, MPI-IO, and HDF5 using the same I/O patterns and in the same jobs. To address high performance variability in production environments, we repeat the benchmarks across I/O patterns, storage devices, and time intervals. Based on the results, we identified consistent HDF5 behaviors that appropriate configurations and operations on dataset layout and file-metadata placement can improve performance significantly. We apply our findings and evaluate the tuned I/O library on two supercomputers: Summit and Cori. The results show that our tuned parameters can achieve more than 10× I/O performance speedup than that with default parameters on both systems, suggesting the effectiveness, stability, and generality of our solution.

Xie, Bing↗
DOE OSTI2021

Optimizing Error-Bounded Lossy Compression for Scientific Data by Dynamic Spline Interpolation

Today's scientific simulations are producing vast volumes of data that cannot be stored and transferred efficiently because of limited storage capacity, parallel I/O bandwidth, and network bandwidth. The situation is getting worse over time because of the ever-increasing gap between relatively slow data transfer speed and fast-growing computation power in modern supercomputers. Error-bounded lossy compression is becoming one of the most critical techniques for resolving the big scientific data issue, in that it can significantly reduce the scientific data volume while guaranteeing that the reconstructed data is valid for users because of its compression-error-bounding feature. In this paper, we present a novel error-bounded lossy compressor based on a state-of-the-art prediction-based compression framework. Our solution exhibits substantially better compression quality than all of the existing error-bounded lossy compressors, with comparable compression speed. Specifically, our contribution is threefold. (1) We provide an in-depth analysis of why the best-existing prediction-based lossy compressor can only minimally improve the compression quality. (2) We propose a dynamic spline interpolation approach with a series of optimization strategies that can significantly improve the data prediction accuracy, substantially improving the compression quality in turn. (3) We perform a thorough evaluation using six real-world scientific simulation datasets across different science domains to evaluate our solution vs. all other related works. Experiments show that the compression ratio of our solution is higher than that of the second-best lossy compressor by 20%similar to 460% with the same error bound in most of the cases.

Zhao, Kai↗
DOE OSTI2023

lustre_fssync

lustre_fssync is a tool used to sync an entire Lustre file system from one cluster to another. It uses Lustre user quotas, parallel I/O utilities and the SLURM resource manager to balance and synchronize all contents between systems.

Harr, CameronM↗