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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 OSTI2022

Accelerating shared file checkpoint with local burst buffers

A data management system and method for accelerating shared file checkpointing. Written application data is aggregated in an application data file created in a local burst buffer memory at a compute node, and an associated data mapping built index to maintain information related to the offsets into a shared file at which segments of the application data is to be stored in a parallel file system, and where in the buffer those segments are located. The node asynchronously transfers a data file containing the application data and the associated data mapping index to a file server for shared file storage. The data management system and method further accelerates shared file checkpointing in which a shared file, together with a map file that specifies how the shared file is to be distributed, is asynchronously transferred to local burst buffer memories at the nodes to accelerate reading of the shared file.

Gooding, Thomas↗
DOE OSTI2024

Accelerating Application Bulk Synchronous Writes in HPC Environments

High-bandwidth storage tiers are becoming more common for their capability to absorb high-rate, bursty I/Os. Notably, the designs of these fast storage tiers differ from system to system. The variation of these layers and non-uniform methods of access can pose chal- lenges for applications seeking to run at multiple HPC facilities. Therefore, in this work, we present Spectral, a rapid-output ab- straction library to accelerate application, bulk-synchronous writes on HPC systems. We design Spectral to enable applications to use high-bandwidth storage, such as node-local storage and dis- tributed, write-caches (e.g., burst buffers) transparently without requiring modifications to the application or file system source code. The key idea is to allow applications to spend most of the time performing productive work and to not require any source code changes for maximum portability on different HPC archi- tectures. Spectral internally re-routes write-only files through available, high-performance I/O resources before ultimately mi- grating them to the shared global parallel file system. For instance, on Summit, Spectral transparently places application outputs on node-local storage and then utilizes asynchronous migration to the center-wide GPFS file system. We evaluate Spectral on the Summit HPC system (1024 nodes) using the IOR benchmark and real scientific applications. Spectral shows linear performance scaling, improving application write performance by over an order of magnitude when compared to GPFS.

Khan, Awais↗
DOE OSTI2022

Frontier (HPE Cray EX) Exascale Supercomputer at the Oak Ridge Leadership Computing Facility

Frontier is the HPE Cray EX exascale supercomputer deployed and operated by the Oak Ridge Leadership Computing Facility (OLCF) at Oak Ridge National Laboratory (ORNL). Frontier is designed for large-scale modeling, simulation, and AI workloads and is built from HPE Cray EX system architecture with AMD CPUs and AMD Instinct GPU accelerators connected by the HPE Slingshot interconnect. System composition (representative production configuration): Frontier is composed of approximately 74 cabinets with 128 compute nodes per cabinet (~9,400 compute nodes total). Each compute node contains one 64-core AMD EPYC CPU and four AMD Instinct MI250X GPUs. Nodes are connected using HPE Slingshot (Slingshot-200 class) networking with multiple NIC ports per node providing high injection bandwidth. Frontier is connected to the Orion parallel file system (multi-tier Lustre) providing a large, center-wide high-performance storage namespace. Operational context: Frontier entered public prominence as the first system to reach No. 1 on the TOP500 list in May 2022 (HPL benchmark), establishing the first widely recognized exascale-era performance milestone. The system supports DOE Office of Science mission workloads and enables leadership-class computational science and AI for open science users.

AMD EPYC↗
DOE OSTI2018

Enforcing End-to-end I/O Policies for Scientific Workflows using Software-Defined Storage Resource Enclaves

Data-intensive knowledge discovery requires scientific applications to run concurrently with analytics and visualization codes executing in situ for timely output inspection and knowledge extraction. Consequently, I/O pipelines of scientific workflows can be long and complex because they comprise many stages of analytics across different layers of the I/O stack of high-performance computing systems. Performance limitations at any I/O layer or stage can cause an I/O bottleneck resulting in greater than expected end-to-end I/O latency. In this paper, we present the design and implementation of a novel data management infrastructure called Software-Defined Storage Resource Enclaves (SIREN) at system level to enforce end-to-end policies that dictate an I/O pipeline's performance. SIREN provides an I/O performance interface for users to specify the desired storage resources in the context of in-situ analytics. If suboptimal performance of analytics is caused by an I/O bottleneck when data are transferred between simulations and analytics, schedulers in different layers of the I/O stack automatically provide the guaranteed lower bounds on I/O throughput. Lastly, our experimental results demonstrate that SIREN provides performance isolation among scientific workflows sharing multiple storage servers across two I/O layers (burst buffer and parallel file systems) while maintaining high system scalability and resource utilization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Characterizing Machine Learning I/O Workloads on Leadership Scale HPC Systems

High performance computing (HPC) is no longer solely limited to traditional workloads such as simulation and modeling. With the increase in the popularity of machine learning (ML) and deep learning (DL) technologies, we are observing that an increasing number of HPC users are incorporating ML methods into their workflow and scientific discovery processes, across a wide spectrum of science domains such as biology, earth science, and physics. This gives rise to a diverse set of I/O patterns than the traditional checkpoint/restart-based HPC I/O behavior. The details of the I/O characteristics of such ML I/O workloads have not been studied extensively for large-scale leadership HPC systems. This paper aims to fill that gap by providing an in-depth analysis to gain an understanding of the I/O behavior of ML I/O workloads using darshan - an I/O characterization tool designed for lightweight tracing and profiling. We study the darshan logs of more than 23, 000 HPC ML I/O jobs over a time period of one year running on Summit - the second-fastest supercomputer in the world. This paper provides a systematic I/O characterization of ML I/O jobs running on a leadership scale supercomputer to understand how the I/O behavior differs across science domains and the scale of workloads, and analyze the usage of parallel file system and burst buffer by ML I/O workloads.

Paul, Arnab↗
DOE OSTI2019

Measuring the impact of burst buffers on data-intensive scientific workflows

Science applications frequently produce and consume large volumes of data, but delivering this data to and from compute resources can be concerning, as parallel file system performance is not keeping up with compute and memory performance. To alter this I/O bottleneck, some systems have deployed burst buffers, but their impact on performance for real-world scientific workflow applications is still not clear. In this paper, we examine the impact of burst buffers through the remote-shared, allocatable burst buffers on the Cori system at NERSC. By running two data-intensive workflows, a high-throughput genome analysis workflow, and a subset of the SCEC high-performance CyberShake workflow, a production seismic hazard analysis workflow, we find that using burst buffers offers read and write improvements of an order of magnitude, and these improvements lead to increased job performance, and thereby increased overall workflow performance, even for long-running CPU-bound jobs.

42 ENGINEERING↗
DOE OSTI2022

Enabling machine learning-ready HPC ensembles with Merlin

With the growing complexity of computational and experimental facilities, many scientific researchers are turning to machine learning (ML) techniques to analyze large scale ensemble data. With complexities such as multi-component workflows, heterogeneous machine architectures, parallel file systems, and batch scheduling, care must be taken to facilitate this analysis in a high performance computing (HPC) environment. Here, we present Merlin, a workflow framework to enable large ML-friendly ensembles of scientific HPC simulations. By augmenting traditional HPC with distributed compute technologies, Merlin aims to lower the barrier for scientific subject matter experts to incorporate ML into their analysis. As a producer–consumer workflow model, Merlin enables multi-machine, cross-batch job, dynamically allocated yet persistent workflows capable of utilizing surge-compute resources. Key features of Merlin are a flexible HPC-centric interface, low per-task overhead, multi-tiered fault recovery, and a hierarchical sampling algorithm that allows for $\mathscr{O}$(N) task execution and $\mathscr{O}$(N ln N) task queuing to ensembles of millions of tasks. In addition to Merlin’s design, we test the algorithm’s performance in an HPC center and demonstrate the ability to enqueue 40 million simulations in 100 s, with a 30 millisecond per-task overhead that is independent of ensemble size. Finally, we describe some example applications that Merlin has enabled on leadership-class HPC resources, such as the ML-augmented optimization of nuclear fusion experiments and the calibration of infectious disease models to study the progression of and possible mitigation strategies for COVID-19.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

A Zoom-in Analysis of I/O Logs to Detect Root Causes of I/O Performance Bottlenecks

Scientific applications frequently spend a large fraction of their execution time in reading and writing data on parallel file systems. Identifying these I/O performance bottlenecks and attributing root causes are critical steps toward devising optimization strategies. Several existing studies analyze I/O logs of a set of benchmarks or applications that were run with controlled behaviors. However, there is still a lack of general approach that systematically identifies I/O performance bottlenecks for applications running "in the wild" on production systems. In this study, we have developed an analysis approach of "zooming in" from platform-wide to application-wide to job-level I/O logs for identifying I/O bottlenecks in arbitrary scientific applications. We analyze the logs collected on a Cray XC40 system in production over a two-month period. This study results in several insights for application developers to use in optimizing I/O behavior.

Wang, Teng↗
DOE OSTI2020

Pufferscale: Rescaling HPC Data Services for High Energy Physics Applications

User-space HPC data services are emerging as an appealing alternative to traditional parallel file systems, because of their ability to be tailored to application needs while eliminating unnecessary overheads incurred by POSIX compliance. The High Energy Physics (HEP) community is progressively turning towards such services to enable high-throughput accesses under heavy concurrency to billions of event data produced by instruments and consumed by subsequent analysis workflows. Such services would benefit from the possibility to be rescaled up and down to adapt to changing workloads, as experimental campaigns progress, in order to optimize resource usage. This paper formalizes rescaling a distributed storage system as a multi objective optimization problem considering three criteria: load balance, data balance, and duration of the rescaling operation. We propose a heuristic for rapidly finding a good approximate solution, while allowing users to weight the criteria as needed. The heuristic is evaluated with Pufferscale, a new rescaling manager for microservice-based distributed storage systems. To validate our approach in a real-world ecosystem, we showcase the use of Pufferscale as a means to enable storage malleability in the HEPnOS storage system for HEP applications.

Distributed Storage System↗
DOE OSTI2024

TunIO: An AI-powered Framework for Optimizing HPC I/O

I/O operations are a known performance bottleneck of HPC applications. To achieve good performance, users often employ an iterative multistage tuning process to find an optimal I/O stack configuration. However, an I/O stack contains multiple layers, such as high-level I/O libraries, I/O middleware, and parallel file systems, and each layer has many parameters. These parameters and layers are entangled and influenced by each other. The tuning process is time-consuming and complex. In this work, we present TunIO, an AI-powered I/O tuning framework that implements several techniques to balance the tuning cost and performance gain, including tuning the high-impact parameters first. Furthermore, TunIO analyzes the application source code to extract its I/O kernel while retaining all statements necessary to perform I/O. It utilizes a smart selection of high-impact configuration parameters of the given tuning objective. Finally, it uses a novel Reinforcement Learning (RL)-driven early stopping mechanism to balance the cost and performance gain. Experimental results show that TunIO leads to a reduction of up to ≈73% in tuning time while achieving the same performance gain when compared to H5Tuner. It achieves a significant performance gain/cost of 208.4 MBps/min (I/O bandwidth for each minute spent in tuning) over existing approaches under our testing.

Rajesh, Neeraj↗
DOE OSTI2022

Optimizing Error-Bounded Lossy Compression for Scientific Data With Diverse Constraints

Vast volumes of data are produced by today's scientific simulations and advanced instruments. These data cannot be stored and transferred efficiently because of limited I/O bandwidth, network speed, and storage capacity. Error-bounded lossy compression can be an effective method for addressing these issues: not only can it significantly reduce data size, but it can also control the data distortion based on user-defined error bounds. In practice, many scientific applications have specific requirements or constraints for lossy compression, in order to guarantee that the reconstructed data are valid for post hoc analysis. For example, some datasets contain irrelevant data that should be isolated in particular and users often have intuition regarding value ranges, geospatial regions, and other data subsets that are crucial for subsequent analysis. Existing state-of-the-art error-bounded lossy compressors, however, do not consider these constraints during compression, resulting in inferior compression ratios with respect to user's post hoc analysis, due to the fact that the data itself provides little or no value for post hoc analysis. In this work we address this issue by proposing an optimized framework that can preserve diverse constraints during the error-bounded lossy compression, e.g., cleaning the irrelevant data, efficiently preserving different precision for multiple value intervals, and allowing users to set diverse precision over both regular and irregular regions. We perform our evaluation on a supercomputer with up to 2,100 cores. Experiments with six real-world applications show that our proposed diverse constraints based error-bounded lossy compressor can obtain a higher visual quality or data fidelity on reconstructed data with the same or even higher compression ratios compared with the traditional state-of-the-art compressor SZ. Furthermore, our experiments also demonstrate very good scalability in compression performance compared with the I/O throughput of the parallel file system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Optimizing Management of Persistent Data Structures in High-Performance Analytics

Large-scale data analytics workflows ingest massive input data into various data structures, including graphs and key-value datastores. These data structures undergo multiple transformations and computations and are typically reused in incremental and iterative analytics workflows. Persisting in-memory views of these data structures enables reusing them beyond the scope of a single program run while avoiding repetitive raw data ingestion overheads. Memory-mapped I/O enables persisting in-memory data structures without data serialization and deserialization overheads. However, memory-mapped I/O lacks the key feature of persisting consistent snapshots of these data structures for incremental ingestion and processing. The obstacles to efficient virtual memory snapshots using memory-mapped I/O include background writebacks outside the application’s control, and the significantly high storage footprint of such snapshots. To address these limitations, we present Privateer, a memory and storage management tool that enables storage-efficient virtual memory snapshotting while also optimizing snapshot I/O performance. Here, we integrated Privateer into Metall, a state-of-the-art persistent memory allocator for C++, and the Lightning Memory-Mapped Database (LMDB), a widely-used key-value datastore in data analytics and machine learning. Privateer optimized application performance by 1.22× when storing data structure snapshots to node-local storage, and up to 16.7× when storing snapshots to a parallel file system. Privateer also optimizes storage efficiency of incremental data structure snapshots by up to 11× using data deduplication and compression.

Computer science↗
DOE OSTI2019

Optimizing I/O Performance of HPC Applications with Autotuning

Parallel Input output is an essential component of modern high-performance computing (HPC). Obtaining good I/O performance for a broad range of applications on diverse HPC platforms is a major challenge, in part, because of complex inter dependencies between I/O middleware and hardware. The parallel file system and I/O middleware layers all offer optimization parameters that can, in theory, result in better I/O performance. Unfortunately, the right combination of parameters is highly dependent on the application, HPC platform, problem size, and concurrency. Scientific application developers do not have the time or expertise to take on the substantial burden of identifying good parameters for each problem configuration. They resort to using system defaults, a choice that frequently results in poor I/O performance. We expect this problem to be compounded on exascale-class machines, which will likely have a deeper software stack with hierarchically arranged hardware resources. We present as a solution to this problem an autotuning system for optimizing I/O performance, I/O performance modeling, I/O tuning, and I/O patterns. We demonstrate the value of this framework across several HPC platforms and applications at scale.

Behzad, Babak↗
DOE OSTI2018

NUMA-Aware Thread Scheduling for Big Data Transfers over Terabits Network Infrastructure

The evergrowing trend of big data has led scientists to share and transfer the simulation and analytical data across the geodistributed research and computing facilities. However, the existing data transfer frameworks used for data sharing lack the capability to adopt the attributes of the underlying parallel file systems (PFS). LADS (Layout-Aware Data Scheduling) is an end-to-end data transfer tool optimized for terabit network using a layout-aware data scheduling via PFS. However, it does not consider the NUMA (Nonuniform Memory Access) architecture. In this paper, we propose a NUMA-aware thread and resource scheduling for optimized data transfer in terabit network. First, we propose distributed RMA buffers to reduce memory controller contention in CPU sockets and then schedule the threads based on CPU socket and NUMA nodes inside CPU socket to reduce memory access latency. We design and implement the proposed resource and thread scheduling in the existing LADS framework. Experimental results showed from 21.7% to 44% improvement with memory-level optimizations in the LADS framework as compared to the baseline without any optimization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

PoliMOR

PoliMOR is a scalable, automated, and customizable policy engine framework for multi-tiered parallel file systems. It is composed of single-purpose agents that handle tasks such as gathering file metadata, making policy decisions, and then executing actions based on those policies. These agents are designed to communicate using distributed message queues, allowing the number of individual agents to be scaled up as needed. PoliMOR automates the data management tasks by precluding the need for admin intervention. The agents in PoliMOR can be customized to integrate any utilities/tools that perform tasks like metadata scanning and data placement management.

Brumgard, Christopher↗
DOE OSTI2021

Demystifying asynchronous I/O Interference in HPC applications

With increasing complexity of HPC workflows, data management services need to perform expensive I/O operations asynchronously in the background, aiming to overlap the I/O with the application runtime. However, this may cause interference due to competition for resources: CPU, memory/network bandwidth. The advent of multi-core architectures has exacerbated this problem, as many I/O operations are issued concurrently, thereby competing not only with the application but also among themselves. Furthermore, the interference patterns can dynamically change as a response to variations in application behavior and I/O subsystems (e.g. multiple users sharing a parallel file system). Without a thorough understanding, I/O operations may perform suboptimally, potentially even worse than in the blocking case. To fill this gap, here we investigate the causes and consequences of interference due to asynchronous I/O on HPC systems. Specifically, we focus on multi-core CPUs and memory bandwidth, isolating the interference due to each resource. Then, we perform an in-depth study to explain the interplay and contention in a variety of resource sharing scenarios such as varying priority and number of background I/O threads and different I/O strategies: sendfile, read/write, mmap/write underlining trade-offs. The insights from this study are important both to enable guided optimizations of existing background I/O, as well as to open new opportunities to design advanced asynchronous I/O strategies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

AI4IO: A suite of AI-based tools for IO-aware scheduling

Traditional workload managers do not have the capacity to consider how IO contention can increase job runtime and even cause entire resource allocations to be wasted. Whether from bursts of IO demand or parallel file systems (PFS) performance degradation, IO contention must be identified and addressed to ensure maximum performance. In this paper, we present AI4IO (AI for IO), a suite of tools using AI methods to prevent and mitigate performance losses due to IO contention. AI4IO enables existing workload managers to become IO-aware. Currently, AI4IO consists of two tools: PRIONN and CanarIO. PRIONN predicts IO contention and empowers schedulers to prevent it. CanarIO mitigates the impact of IO contention when it does occur. We measure the effectiveness of AI4IO when integrated into Flux, a next-generation scheduler, for both small- and large-scale IO-intensive job workloads. Our results show that integrating AI4IO into Flux improves the workload makespan up to 6.4%, which can account for more than 18,000 node-h of saved resources per week on a production cluster in our large-scale workload.

Wyatt, II, Michael R.↗
DOE OSTI2020

CephFS experiments on stria.sandia.gov

This report is an institutional record of experiments conducted to explore performance of a vendor installation of CephFS on the SNL stria cluster. Comparisons between CephFS, the Lustre parallel file system, and NFS were done using the IOR and MDTEST benchmarking tools, a test program which uses the SEACAS/Trilinos IOSS library, and the checkpointing activity performed by the LAMMPS molecular dynamics simulation.

74 ATOMIC AND MOLECULAR PHYSICS↗