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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
DOE OSTI2024

Improving I/O-aware Workflow Scheduling via Data Flow Characterization and trade-off Analysis

The scientific computing paradigm has transitioned from compute-intensive to I/O-intensive and memory-intensive in the past decade, especially when data-driven science has become common practice. Numerous empirical I/O-aware scheduling optimizations have been developed by incorporating I/O capacity and bandwidth as constraints into scheduling. Unfortunately, there is a lack of data flow (I/O) characterization tool and an understanding of trade-offs between concurrency, locality, and I/O bandwidth. To bridge the gap, this work 1) presents a set of descriptors to characterize, organize, and visualize I/O profiles, including flow size, I/O bandwidth, and operation count, which group data flows by I/O types, tasks, and files; 2) proposes an I/O Roofline model-based trade-off analysis to find the optimal trade-off between flow operational intensity, concurrency, and flow performance. The I/O descriptors generate useful insights into complicated I/O behaviors, suggesting distinct concurrency, storage, and scheduling to be used by types, tasks, and files. The proposed trade-off analysis guides scheduling decisions that generate resource assignment with the best flow parallelism. We evaluate our I/O-aware scheduling methodology on a highly I/O-intensive workflow–1000 Genomes. The experimental results demonstrate speedups of up to 2.4× compared to the state-of-the- art methods.

Guo, Luanzheng [BATTELLE (PACIFIC NW LAB)]↗
DOE OSTI2013

Acceleration of the matrix multiplication of Radiance three phase daylighting simulations with parallel computing on heterogeneous hardware of personal computer

Building designers are increasingly relying on complex fenestration systems to reduce energy consumed for lighting and HVAC in low energy buildings. Radiance, a lighting simulation program, has been used to conduct daylighting simulations for complex fenestration systems. Depending on the configurations, the simulation can take hours or even days using a personal computer. This paper describes how to accelerate the matrix multiplication portion of a Radiance three-phase daylight simulation by conducting parallel computing on heterogeneous hardware of a personal computer. The algorithm was optimized and the computational part was implemented in parallel using OpenCL. The speed of new approach was evaluated using various daylighting simulation cases on a multicore central processing unit and a graphics processing unit. Based on the measurements and analysis of the time usage for the Radiance daylighting simulation, further speedups can be achieved by using fast I/O devices and storing the data in a binary format.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2017

A Unit Testing Framework for Scientific Legacy Code

Large-scale scientific applications play important roles in supporting research. However, it is often very expensive and time-consuming to make changes to, maintain and evolve the scientific code due to its complexity and poor programming skills of researchers. Therefore, in order to visualize scientific code architecture to optimize software design, understand undocumented source code, and analyze software flow and functionality, we first introduce a unit testing framework (UTF). Then, because such infrastructure's performance is very crucial in practical use since the scientific legacy applications simulate instances in a long period of time, we improve the UTF by applying Message Passing based Parallelization and parallel I/O operations. Furthermore, due to the scientific code has enormous state data and the I/O capacity on the server is limited, we apply in situ data analysis method to encounter fewer resource limitations, and adopt signal processing to greatly reduce data transfer. Last, we demonstrated the correctness and high-efficiency of our framework for legacy Earth model on Titan supercomputer.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1989

Hierarchical Poly Tree computer architectures defined by computational multidisciplinary mechanics

This paper will develop an alternative computer architecture called the Poly Tree. Based on the requirements of computational mechanics and the concept of hierarchical substructuring, the paper will explore the development of problem-dependent parallel networks of processors which will enable significant, often superlinear, speed enhancements; provide a logical/efficient framework for linear/nonlinear and transient structural mechanics problems; and provide a logical framework from which to apply model reduction procedures. In addition, the paper will explore optimal processor arrangements which define the overall system granularity. Consideration will also be given to system I/O requirements.

Padovan, Joe↗
DOE OSTI2014

Damsel: A Data Model Storage Library for Exascale Science

Computational science applications have been described as having one of seven motifs (the “seven dwarfs”), each having a particular pattern of computation and communication. From a storage and I/O perspective, these applications can also be grouped into a number of data model motifs describing the way data is organized and accessed during simulation, analysis, and visualization. Major storage data models developed in the 1990s, such as Network Common Data Format (netCDF) and Hierarchical Data Format (HDF) projects, created support for more complex data models. Development of both netCDF and HDF5 was influenced by multi-dimensional dataset storage requirements, but their access models and formats were designed with sequential storage in mind (e.g., a POSIX I/O model). Although these and other high-level I/O libraries have had a beneficial impact on large parallel applications, they do not always attain a high percentage of peak I/O performance due to fundamental design limitations, and they do not address the full range of current and future computational science data models. The goal of this project is to enable exascale computational science applications to interact conveniently and efficiently with storage through abstractions that match their data models. The project consists of three major activities: (1) identifying major data model motifs in computational science applications and developing representative benchmarks; (2) developing a data model storage library, called Damsel, that supports these motifs, provides efficient storage data layouts, incorporates optimizations to enable exascale operation, and is tolerant to failures; and (3) productizing Damsel and working with computational scientists to encourage adoption of this library by the scientific community. The product of this project, Damsel library, is openly available for download from http://cucis.ece.northwestern.edu/projects/DAMSEL. Several case studies and application programming interface reference are also available to assist new users to learn to use the library.

97 MATHEMATICS AND COMPUTING↗
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↗
NASA NTRS1996

RANS-MP: A Portable Parallel Navier-Stokes Solver

RANS-MP, a new implementation of a single-grid Navier-Stokes solver using the diagonalized Beam-Warming approximate-factorization scheme, is presented. This first release of the completely rewritten solver employs the following optimizations: (1) Bi-directional multi-partition method for the ADI solver part; this improves granularity and load balance; (2) Improved cache usage through elimination of non-unit-stride array access (possible in part due to multi-partitioning); (3) Preprocessing of communicating boundary conditions to streamline logic during time stepping; (4) Truly parallel, high-performance I/O using the newly-developed MPI-IO library; (5) Elimination of large amounts of redundant operations through efficient use of workspace. Results of some realistic wing computations on the IBM SP2 computer will be presented. We will demonstrate that excellent absolute performance and scalability are obtained with RANS-MP, even for relatively small grid sizes. Besides high performance, an outstanding feature of RANS-MP is its true portability, due to the use of the portable message passing and I/O libraries MPI and MPI-IO.

VanderWijngaart, Rob F.↗
DOE OSTI2025

I/O in Machine Learning Applications on HPC Systems: A 360-degree Survey

Growing interest in Artificial Intelligence (AI) has resulted in a surge in demand for faster methods of Machine Learning (ML) model training and inference. This demand for speed has prompted the use of high performance computing (HPC) systems that excel in managing distributed workloads. Because data is the main fuel for AI applications, the performance of the storage and I/O subsystem of HPC systems is critical. In the past, HPC applications accessed large portions of data written by simulations or experiments or ingested data for visualizations or analysis tasks. ML workloads perform small reads spread across a large number of random files. This shift of I/O access patterns poses several challenges to modern parallel storage systems. In this paper, we survey I/O in ML applications on HPC systems, and target literature within a 6-year time window from 2019 to 2024. We define the scope of the survey, provide an overview of the common phases of ML, review available profilers and benchmarks, examine the I/O patterns encountered during offline data preparation, training, and inference, and explore I/O optimizations utilized in modern ML frameworks and proposed in recent literature. Lastly, we seek to expose research gaps that could spawn further R&D.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Active Flash: Performance-Energy Tradeoffs for Out-of-Core Processing on Non-Volatile Memory Devices

In this abstract, we study the performance and energy tradeoffs involved in migrating data analysis into the flash device, a process we refer to as Active Flash. The Active Flash paradigm is similar to 'active disks', which has received considerable attention. Active Flash allows us to move processing closer to data, thereby minimizing data movement costs and reducing power consumption. It enables true out-of-core computation. The conventional definition of out-of-core solvers refers to an approach to process data that is too large to fit in the main memory and, consequently, requires access to disk. However, in Active Flash, processing outside the host CPU literally frees the core and achieves real 'out-of-core' analysis. Moving analysis to data has long been desirable, not just at this level, but at all levels of the system hierarchy. However, this requires a detailed study on the tradeoffs involved in achieving analysis turnaround under an acceptable energy envelope. To this end, we first need to evaluate if there is enough computing power on the flash device to warrant such an exploration. Flash processors require decent computing power to run the internal logic pertaining to the Flash Translation Layer (FTL), which is responsible for operations such as address translation, garbage collection (GC) and wear-leveling. Modern SSDs are composed of multiple packages and several flash chips within a package. The packages are connected using multiple I/O channels to offer high I/O bandwidth. SSD computing power is also expected to be high enough to exploit such inherent internal parallelism within the drive to increase the bandwidth and to handle fast I/O requests. More recently, SSD devices are being equipped with powerful processing units and are even embedded with multicore CPUs (e.g. ARM Cortex-A9 embedded processor is advertised to reach 2GHz frequency and deliver 5000 DMIPS; OCZ RevoDrive X2 SSD has 4 SandForce controllers, each with 780MHz max frequency Tensilica core). Efforts that take advantage of the available computing cycles on the processors on SSDs to run auxiliary tasks other than actual I/O requests are beginning to emerge. Kim et al. investigate database scan operations in the context of processing on the SSDs, and propose dedicated hardware logic to speed up scans. Also, cluster architectures have been explored, which consist of low-power embedded CPUs coupled with small local flash to achieve fast, parallel access to data. Processor utilization on SSD is highly dependent on workloads and, therefore, they can be idle during periods with no I/O accesses. We propose to use the available processing capability on the SSD to run tasks that can be offloaded from the host. This paper makes the following contributions: (1) We have investigated Active Flash and its potential to optimize the total energy cost, including power consumption on the host and the flash device; (2) We have developed analytical models to analyze the performance-energy tradeoffs for Active Flash, by treating the SSD as a blackbox, this is particularly valuable due to the proprietary nature of the SSD internal hardware; and (3) We have enhanced a well-known SSD simulator (from MSR) to implement 'on-the-fly' data compression using Active Flash. Our results provide a window into striking a balance between energy consumption and application performance.

42 ENGINEERING↗
DOE OSTI2015

An Approach to Enhance pnetCDF Performance in Environmental Modeling Applications

I/O has been considered as a bottleneck in parallel applications. The software package, pnetCDF which works with parallel file systems, was developed to address this issue and provide parallel I/O capability. This study examines the performance of a novel approach which performs data aggregation along either row or column dimension of the spatial domain, and then applies the pnetCDF parallel I/O paradigm. The test was done with three different domain sizes which represents small, moderately large and large data domains, using a small scale Community Multi-scale Air Quality model (CMAQ) mocked up code. The examination includes comparing I/O performance with traditional serial I/O technique, straight application of pnetCDF, and the data aggregation along row and column dimension before applying pnetCDF. After the comparison, “optimal” I/O configurations for this new novel approach were quantified. Data aggregation along the row dimension (pnetCDFcr) works better than along the column dimension (pnetCDFcc) although it may perform slightly worse than straight the pnetCDF method with a small number of processors. When the number of processors becomes larger, pnetCDFcr out performs pnetCDF significantly. If the number of processors keeps increasing, pnetCDF reaches a point that the performance is even worse than the serial I/O technique. This new approach has also been tested on a real application where it performs two times better than the straight pnetCDF paradigm.

I/O↗
DOE OSTI2015

Cluster-to-cluster data transfer with data compression over wide-area networks

The recent emergence of ultra high-speed networks up to 100 Gb/s has posed numerous challenges and has led to many investigations on efficient protocols to saturate 100 Gb/s links. However, end-to-end data transfers involve many components, not only protocols, affecting overall transfer performance. These components include disk I/O subsystem, additional computation associated with data streams, and network adapters. For example, achievable bandwidth by TCP may not be implementable if disk I/O or CPU becomes a bottleneck in end-to-end data transfer. In this paper, we first model all the system components involved in end-to-end data transfer as a graph. We then formulate the problem whose goal is to achieve maximum data transfer throughput using parallel data flows. We also propose a variable data flow GridFFP XIO stack to improve data transfer with data compression. Our contributions lie in how to optimize data transfers considering all the system components involved rather than in accurately modeling all the system components involved. Our proposed formulations and solutions are evaluated through experiments on the ESnet 100G testbed and a wide-area cluster-to-cluster testbed. The experimental results on the ESnet 100G testbed show that our approach is several times faster than Globus Online-8 x faster for datasets with many 10 MB files and 3-4 x faster for other datasets of larger size files. The experimental results on the cluster-to-cluster testbed show that our variable data flow approach is up to 4 x faster than a normal cluster data transfer.

Disk-to-Disk Transfer↗
DOE OSTI2013

Compiler-Directed File Layout Optimization for Hierarchical Storage Systems

File layout of array data is a critical factor that effects the behavior of storage caches, and has so far taken not much attention in the context of hierarchical storage systems. The main contribution of this paper is a compiler-driven file layout optimization scheme for hierarchical storage caches. This approach, fully automated within an optimizing compiler, analyzes a multi-threaded application code and determines a file layout for each disk-resident array referenced by the code, such that the performance of the target storage cache hierarchy is maximized. We tested our approach using 16 I/O intensive application programs and compared its performance against two previously proposed approaches under different cache space management schemes. Our experimental results show that the proposed approach improves the execution time of these parallel applications by 23.7% on average.

Ding, Wei↗
DOE OSTI2022

Accelerating Scientific Workflows on HPC Platforms with In Situ Processing

Scientific workflows drive most modern large-scale science breakthroughs by allowing scientists to define their computations as a set of jobs executed in a given order based on their data dependencies. Workflow management systems (WMSs) have become key to automating scientific workflows-executing computational jobs and orchestrating data transfers between those jobs running on complex high-performance computing (HPC) platforms. Traditionally, WMSs use files to communicate between jobs: a job writes out files that are read by other jobs. However, HPC machines face a growing gap between their storage and compute capabilities. To address that concern, the scientific community has adopted a new approach called in situ, which bypasses costly parallel filesystem I/O operations with faster in-memory or in-network communications. When using in situ approaches, communication and computations can be interleaved. In this work, we leverage the Decaf in situ dataflow framework to accelerate task-based scientific workflows managed by the Pegasus WMS, by replacing file communications with faster MPI messaging. We propose a new execution engine that uses Decaf to manage communications within a sub-workflow (i.e., set of jobs) to optimize inter-job communications. We consider two workflows in this study: (i) a synthetic workflow that benchmarks and compares file- and MPI-based communication; and (ii) a realistic bioinformatics workflow that computes mu-tational overlaps in the human genome. Experiments show that in situ communication can improve the bioinformatics workflow execution time by 22% to 30% compared with file communication. Our results motivate further opportunities and challenges for bridging traditional WMSs with in situ frameworks.

Decaf↗
DOE OSTI2017

Tuning HDF5 subfiling performance on parallel file systems

Subfiling is a technique used on parallel file systems to reduce locking and contention issues when multiple compute nodes interact with the same storage target node. Subfiling provides a compromise between the single shared file approach that instigates the lock contention problems on parallel file systems and having one file per process, which results in generating a massive and unmanageable number of files. In this paper, we evaluate and tune the performance of recently implemented subfiling feature in HDF5. In specific, we explain the implementation strategy of subfiling feature in HDF5, provide examples of using the feature, and evaluate and tune parallel I/O performance of this feature with parallel file systems of the Cray XC40 system at NERSC (Cori) that include a burst buffer storage and a Lustre disk-based storage. We also evaluate I/O performance on the Cray XC30 system, Edison, at NERSC. Our results show performance benefits of 1.2X to 6X performance advantage with subfiling compared to writing a single shared HDF5 file. We present our exploration of configurations, such as the number of subfiles and the number of Lustre storage targets to storing files, as optimization parameters to obtain superior I/O performance. Based on this exploration, we discuss recommendations for achieving good I/O performance as well as limitations with using the subfiling feature.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

FTLADS: Object-Logging Based Fault-Tolerant Big Data Transfer System Using Layout Aware Data Scheduling

The layout-aware data scheduling (LADS) data movement framework optimizes congestion for end-to-end data transfers. During data transfer, LADS can avoid congested storage elements by exploiting the underlying storage layout at each endpoint. This improves the I/O bandwidth and hence the data transfer rate across high-speed networks. However, the absence of fault tolerance (FT) in LADS results in data retransmission overhead and may lead to possible data integrity issues upon faults. In this paper, we propose object-logging FT mechanisms to avoid transmitting the objects that are successfully written into the parallel file system (PFS) at the sink end. Depending on the number of log files created for the whole dataset, we have classified our FT mechanisms into three different categories: file logger, transaction logger, and universal logger. Also, to address the space overhead, we have proposed different methods of populating the log files with the information of the successfully transferred objects. We have evaluated the data transfer performance and recovery time overhead of the proposed object-logging-based FT mechanisms on the LADS data transfer framework. Our experimental results reflect that FT mechanisms exhibit negligible overhead (<; 1%) with respect to the data transfer time. Yet, the fault recovery time is 10% higher than the total data transfer time at any fault point.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Accelerating DCA++ (Dynamical Cluster Approximation) Scientific Application on the Summit supercomputer

Optimizing scientific applications on today’s accelerator-based high performance computing systems can be challenging, especially when multiple GPUs and CPUs with heterogeneous memories and persistent non-volatile memories are present. An example is Summit, an accelerator-based system at the Oak Ridge Leadership Computing Facility (OLCF) that is rated as the world’s fastest supercomputer to-date. New strategies are thus needed to expose the parallelism in legacy applications, while being amenable to efficient mapping to the underlying architecture.In this paper we discuss our experiences and strategies to port a scientific application, DCA++, to Summit. DCA++ is a highperformance research application that solves quantum manybody problems with a cutting edge quantum cluster algorithm, the dynamical cluster approximation.Our strategies aim to synergize the strengths of the different programming models in the code. These include: (a) streamlining the interactions between the CPU threads and the GPUs, (b) implementing computing kernels on the GPUs and decreasing CPU-GPU memory transfers, (c) allowing asynchronous GPU communications, and (d) increasing compute intensity by combining linear algebraic operations.Full-scale production runs using all 4600 Summit nodes attained a peak performance of 73.5 PFLOPS with a mixed precision implementation.We observed a perfect strong and weak scaling for the quantum Monte Carlo solver in DCA++, while encountering about 2× input/output (I/O) and MPI communication overhead on the time-to-solution for the full machine run. Our hardware agnostic optimizations are designed to alleviate the communication and I/O challenges observed, while improving the compute intensity and obtaining optimal performance on a complex, hybrid architecture like Summit.

Balduzzi, Giovanni↗
DOE OSTI2024

h5bench: A unified benchmark suite for evaluating HDF5 I/O performance on pre‐exascale platforms

Summary Parallel I/O is a critical technique for moving data between compute and storage subsystems of supercomputers. With massive amounts of data produced or consumed by compute nodes, high‐performant parallel I/O is essential. I/O benchmarks play an important role in this process; however, there is a scarcity of I/O benchmarks representative of current workloads on HPC systems. Toward creating representative I/O kernels from real‐world applications, we have created h5bench , a set of I/O kernels that exercise hierarchical data format version 5 (HDF5) I/O on parallel file systems in numerous dimensions. Our focus on HDF5 is due to the parallel I/O library's heavy usage in various scientific applications running on supercomputing systems. The various tests benchmarked in the h5bench suite include I/O operations (read and write), data locality (arrays of basic data types and arrays of structures), array dimensionality (one‐dimensional arrays, two‐dimensional meshes, three‐dimensional cubes), I/O modes (synchronous and asynchronous). In this paper, we present the observed performance of h5bench executed along several of these dimensions on existing supercomputers (Cori and Summit) and pre‐exascale platforms (Perlmutter, Theta, and Polaris). h5bench measurements can be used to identify performance bottlenecks and their root causes and evaluate I/O optimizations. As the I/O patterns of h5bench are diverse and capture the I/O behaviors of various HPC applications, this study will be helpful to the broader supercomputing and I/O community.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Improving I/O Performance for Exascale Applications through Online Data Layout Reorganization

The applications being developed within the U.S. Exascale Computing Project (ECP) to run on imminent Exascale computers will generate scientific results with unprecedented fidelity and record turn-around time. Many of these codes are based on particle-mesh methods and use advanced algorithms, especially dynamic load-balancing and mesh-refinement, to achieve high performance on Exascale machines. Yet, as such algorithms improve parallel application efficiency, they raise new challenges for I/O logic due to their irregular and dynamic data distributions. Thus, while the enormous data rates of Exascale simulations already challenge existing file system write strategies, the need for efficient read and processing of generated data introduces additional constraints on the data layout strategies that can be used when writing data to secondary storage. We review these I/O challenges and introduce two online data layout reorganization approaches for achieving good tradeoffs between read and write performance. We demonstrate the benefits of using these two approaches for the ECP particle-in-cell simulation WarpX, which serves as a motif for a large class of important Exascale applications. Here, we show that by understanding application I/O patterns and carefully designing data layouts we can increase read performance by more than 80 percent.

97 MATHEMATICS AND COMPUTING↗