Search NASA⌕ Search

SEARCH · Search NASA

Results for “Data parallel computing clusters”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Flexible User-Defined Domain Decomposition in Kilometer-Scale E3SM Land Model Simulation

The Energy Exascale Earth System Model (E3SM) Land Model (ELM) has been extended to kilometer-scale (km-ELM) resolutions, enabling high-fidelity simulations of terrestrial processes at 1 km x 1 km grid spacing. In ELM, domain decomposition partitions the computational domain across processors, ensuring efficient parallel execution. Currently, round-robin decomposition is applied, providing a straightforward way to distribute computational workload. As ELM continues evolving at the kilometer-scale (km-scale), particularly with integrating lateral flow modeling, decomposition strategies must also account for the increased workload and data movement. This paper introduces a flexible user-defined domain decomposition framework, allowing users to customize domain partitioning based on application requirements. The impact of different decomposition strategies is evaluated across various applications concerning computation, communication, and I/O. Results demonstrate that while 1D partitioning yields superior I/O performance, k-nearest neighbors (KNN) clustering effectively reduces inter-process communication overhead. This study lays the groundwork for scalable partitioning in large-scale land surface simulations, enhancing next-generation Earth system modeling.

Wang, Dali [ORNL] (ORCID:0000000168065108)↗
DOE OSTI2011

Exploring High-Dimensional Data Space: Identifying Optimal Process Conditions in Photovoltaics: Preprint

We demonstrate how advanced exploratory data analysis coupled to data-mining techniques can be used to scrutinize the high-dimensional data space of photovoltaics in the context of thin films of Al-doped ZnO (AZO), which are essential materials as a transparent conducting oxide (TCO) layer in CuInxGa1-xSe2 (CIGS) solar cells. AZO data space, wherein each sample is synthesized from a differentprocess history and assessed with various characterizations, is transformed, reorganized, and visualized in order to extract optimal process conditions. The data-analysis methods used include parallel coordinates, diffusion maps, and hierarchical agglomerative clustering algorithms combined with diffusion map embedding.

14 SOLAR ENERGY↗
DOE OSTI2019

Managing variations among nodes in parallel system frameworks

Systems, apparatuses, and methods for managing variations among nodes in parallel system frameworks. Sensor and performance data associated with the nodes of a multi-node cluster may be monitored to detect variations among the nodes. A variability metric may be calculated for each node of the cluster based on the sensor and performance data associated with the node. The variability metrics may then be used by a mapper to efficiently map tasks of a parallel application to the nodes of the cluster. In one embodiment, the mapper may assign the critical tasks of the parallel application to the nodes with the lowest variability metrics. In another embodiment, the hardware of the nodes may be reconfigured so as to reduce the node-to-node variability.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

NVMalloc: Exposing an Aggregate SSD Store as a Memory Partition in Extreme-Scale Machines

DRAM is a precious resource in extreme-scale machines and is increasingly becoming scarce, mainly due to the growing number of cores per node. On future multi-petaflop and exaflop machines, the memory pressure is likely to be so severe that we need to rethink our memory usage models. Fortunately, the advent of non-volatile memory (NVM) offers a unique opportunity in this space. Current NVM offerings possess several desirable properties, such as low cost and power efficiency, but suffer from high latency and lifetime issues. We need rich techniques to be able to use them alongside DRAM. In this talk, we present a novel approach for exploiting NVM as a secondary memory partition so that applications can explicitly allocate and manipulate memory regions therein. More specifically, we propose an NVMalloc library with a suite of services that enables applications to access a distributed NVM storage system. We have devised ways within NVMalloc so that the storage system, built from compute node-local NVM devices, can be accessed in a byte-addressable fashion using the memory mapped I/O interface. Our approach has the potential to re-energize out-of-core computations on largescale machines by having applications allocate certain variables through NVMalloc, thereby increasing the overall memory capacity available. Our evaluation on a 128-core cluster shows that NVMalloc enables applications to compute problem sizes larger than the physical memory in a cost-effective manner. It can bring more performance/efficiency gain with increased computation time between NVM memory accesses or increased data access locality. In addition, our results suggest that while NVMalloc enables transparent access to NVM-resident variables, the explicit control it provides is crucial to optimize application performance.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2012

The Secret Life of Quarks, Final Report for the University of North Carolina at Chapel Hill

This final report summarizes activities and results at the University of North Carolina as part of the the SciDAC-2 Project The Secret Life of Quarks: National Computational Infrastructure for Lattice Quantum Chromodynamics. The overall objective of the project is to construct the software needed to study quantum chromo- dynamics (QCD), the theory of the strong interactions of subatomic physics, and similar strongly coupled gauge theories anticipated to be of importance in the LHC era. It built upon the successful efforts of the SciDAC-1 project National Computational Infrastructure for Lattice Gauge Theory, in which a QCD Applications Programming Interface (QCD API) was developed that enables lat- tice gauge theorists to make effective use of a wide variety of massively parallel computers. In the SciDAC-2 project, optimized versions of the QCD API were being created for the IBM Blue- Gene/L (BG/L) and BlueGene/P (BG/P), the Cray XT3/XT4 and its successors, and clusters based on multi-core processors and Infiniband communications networks. The QCD API is being used to enhance the performance of the major QCD community codes and to create new applications. Software libraries of physics tools have been expanded to contain sharable building blocks for inclusion in application codes, performance analysis and visualization tools, and software for au- tomation of physics work flow. New software tools were designed for managing the large data sets generated in lattice QCD simulations, and for sharing them through the International Lattice Data Grid consortium. As part of the overall project, researchers at UNC were funded through ASCR to work in three general areas. The main thrust has been performance instrumentation and analysis in support of the SciDAC QCD code base as it evolved and as it moved to new computation platforms. In support of the performance activities, performance data was to be collected in a database for the purpose of broader analysis. Third, the UNC work was done at RENCI (Renaissance Computing Institute), which has extensive expertise and facilities for scientific data visualization, so we acted in an ongoing consulting and support role in that area.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Programming with BIG data in R: Scaling analytics from one to thousands of nodes

Here, we present a tutorial overview showing how one can achieve scalable performance with R. We do so by utilizing several package extensions, including those from the pbdR project. These packages consist of high performance, high-level interfaces to and extensions of MPI, PBLAS, ScaLAPACK, I/O libraries, profiling libraries, and more. While these libraries shine brightest on large distributed platforms, they also work rather well on small clusters and often, surprisingly, even on a laptop with only two cores. Our tutorial begins with recommendations on how to get more performance out of your R code before considering parallel implementations. Because R is a high-level language, a function can have a deep hierarchy of operations. For big data, this can easily lead to inefficiency. Profiling is an important tool to understand the performance of an R code for both serial and parallel improvements.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2010

An overview of the Hadoop/MapReduce/HBase framework and its current applications in bioinformatics

Bioinformatics researchers are increasingly confronted with analysis of ultra large-scale data sets, a problem that will only increase at an alarming rate in coming years. Recent developments in open source software, that is, the Hadoop project and associated software, provide a foundation for scaling to petabyte scale data warehouses on Linux clusters, providing fault-tolerant parallelized analysis on such data using a programming style named MapReduce. An overview is given of the current usage within the bioinformatics community of Hadoop, a top-level Apache Software Foundation project, and of associated open source software projects. The concepts behind Hadoop and the associated HBase project are defined, and current bioinformatics software that employ Hadoop is described. The focus is on next-generation sequencing, as the leading application area to date.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

National Computational Infrastructure for Lattice Gauge Theory SciDAC-2 Closeout Report

As part of this project work, researchers from Vanderbilt University, Fermi National Laboratory and Illinois Institute of technology developed a real-time cluster fault-tolerant cluster monitoring framework. This framework is open source and is available for download upon request. This work has also been used at Fermi Laboratory, Vanderbilt University and Mississippi State University across projects other than LQCD. The goal for the scientific workflow project is to investigate and develop domain-specific workflow tools for LQCD to help effectively orchestrate, in parallel, computational campaigns consisting of many loosely-coupled batch processing jobs. Major requirements for an LQCD workflow system include: a system to manage input metadata, e.g. physics parameters such as masses, a system to manage and permit the reuse of templates describing workflows, a system to capture data provenance information, a systems to manage produced data, a means of monitoring workflow progress and status, a means of resuming or extending a stopped workflow, fault tolerance features to enhance the reliability of running workflows. Requirements for an LQCD workflow system are available in documentation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Explicit correlation treatment of the potential energy surface of CO{sub 2} dimer

We present an extensive study of the four-dimensional potential energy surface (4D-PES) of the carbon dioxide dimer, (CO{sub 2}){sub 2}. This PES is developed over the set of intermolecular coordinates. The electronic computations are carried out at the explicitly correlated coupled cluster method with single, double, and perturbative triple excitations [CCSD(T)-F12] level of theory in connection with the augmented correlation-consistent aug-cc-pVTZ basis set. An analytic representation of the 4D-PES is derived. Our extensive calculations confirm that “Slipped Parallel” is the most stable form and that the T-shaped structure corresponds to a transition state. Later on, this PES is employed for the calculations of the vibrational energy levels of the dimer. Moreover, the temperature dependence of the dimer second virial coefficient and of the first spectral moment of rototranslational collision-induced absorption spectrum is derived. For both quantities, a good agreement is found between our values and the experimental data for a wide range of temperatures. This attests to the high quality of our PES. Generally, our PES and results can be used for modeling CO{sub 2} supercritical fluidity and examination of its role in planetary atmospheres. It can be also incorporated into dynamical computations of CO{sub 2} capture and sequestration. This allows deep understanding, at the microscopic level, of these processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Energy-efficient mapping of large-scale workflows under deadline constraints in big data computing systems

Large-scale workflows for big data analytics have become a main consumer of energy in data centers where moldable parallel computing models such as MapReduce are widely applied to meet high computational demands with time-varying computing resources. The granularity of task partitioning in each moldable job of such big data workflows has a significant impact on energy efficiency, which remains largely unexplored. In this paper, we analyze the properties of moldable jobs and formulate a workflow mapping problem to minimize the dynamic energy consumption of a given workflow request under a deadline constraint in big data systems. Since this problem is strongly NP-hard, we design a fully polynomial-time approximation scheme (FPTAS) for a special case with a pipeline-structured workflow on a homogeneous cluster and a heuristic for the generalized problem with an arbitrary workflow on a heterogeneous cluster. The performance superiority of the proposed solution in terms of dynamic energy saving and deadline missing rate is illustrated by extensive simulation results in comparison with existing algorithms, and further validated by real-life workflow implementation and experimental results in Hadoop/YARN systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Communication-avoiding optimization methods for distributed massive-scale sparse inverse covariance estimation

Across a variety of scientific disciplines, sparse inverse covariance estimation is a popular tool for capturing the underlying dependency relationships in multivariate data. Unfortunately, most estimators are not scalable enough to handle the sizes of modern high-dimensional data sets (often on the order of terabytes), and assume Gaussian samples. To address these deficiencies, we introduce HP-CONCORD, a highly scalable optimization method for estimating a sparse inverse covariance matrix based on a regularized pseudolikelihood framework, without assuming Gaussianity. Our parallel proximal gradient method uses a novel communication-avoiding linear algebra algorithm and runs across a multi-node cluster with up to 1k nodes (24k cores), achieving parallel scalability on problems with up to ≈819 billion parameters (1.28 million dimensions); even on a single node, HP-CONCORD demonstrates scalability, outperforming a state-of-the-art method. We also use HP-CONCORD to estimate the underlying dependency structure of the brain from fMRI data, and use the result to identify functional regions automatically. The results show good agreement with a clustering from the neuroscience literature.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Designing Next Generation Massively Multithreaded Architectures for Irregular Applications

Irregular applications, such as data mining or graph-based computations, show unpredictable memory/network access patterns and control structures. Massively multi-threaded architectures with large node count, like the Cray XMT, have been shown to address their requirements better than commodity clusters. In this paper we present the approaches that we are currently pursuing to design future generations of these architectures. First, we introduce the Cray XMT and compare it to other multithreaded architectures. We then propose an evolution of the architecture, integrating multiple cores per node and next generation network interconnect. We advocate the use of hardware support for remote memory reference aggregation to optimize network utilization. For this evaluation we developed a highly parallel, custom simulation infrastructure for multi-threaded systems. Our simulator executes unmodified XMT binaries with very large datasets, capturing effects due to contention and hot-spotting, while predicting execution times with greater than 90% accuracy. We also discuss the FPGA prototyping approach that we are employing to study efficient support for irregular applications in next generation manycore processors.

Tumeo, Antonino↗
DOE OSTI2017

Expressing Parallelism with ROOT

The need for processing the ever-increasing amount of data generated by the LHC experiments in a more efficient way has motivated ROOT to further develop its support for parallelism. Such support is being tackled both for shared-memory and distributed-memory environments. The incarnations of the aforementioned parallelism are multi-threading, multi-processing and cluster-wide executions. In the area of multi-threading, we discuss the new implicit parallelism and related interfaces, as well as the new building blocks to safely operate with ROOT objects in a multi-threaded environment. Regarding multi-processing, we review the new MultiProc framework, comparing it with similar tools (e.g. multiprocessing module in Python). Finally, as an alternative to PROOF for cluster-wide executions, we introduce the efforts on integrating ROOT with state-of-the-art distributed data processing technologies like Spark, both in terms of programming model and runtime design (with EOS as one of the main components). For all the levels of parallelism, we discuss, based on real-life examples and measurements, how our proposals can increase the productivity of scientists.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Parallel File System I/O Performance Testing On LANL Clusters

These are slides from a presentation on parallel file system I/O performance testing on LANL clusters. I/O is a known bottleneck for HPC applications. Performance optimization of I/O is often required. This summer project entailed integrating IOR under Pavilion and automating the results analysis. The slides cover the following topics: scope of the work, tools utilized, IOR-Pavilion test workflow, build script, IOR parameters, how parameters are passed to IOR, *run_ior: functionality, Python IOR-Output Parser, Splunk data format, Splunk dashboard and features, and future work.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Hard Disk/Solid State Drive Synergy in Support of Data-Intensive Computing [Slides]

Data-intensive applications are becoming increasingly common in high-performance computing. Examples include combustion simulation, human genome analysis, and satellite image processing. Efficient access of data sets is critical to the performance of these applications. Because of the size of the data today's economically feasible approach is to store the data files on an array of hard disks or data servers equipped with hard disks and managed by a parallel file system such as PVFS or Lustre wherein the data is striped over a (large) number of disks for high aggregate I/O throughout. With file striping, a request for a segment of logically contiguous file space is decomposed into multiple sub-requests, each to a different server. While the data unit for this striping is usually reasonably large to benefit disk efficiency, the first and/or last sub-requests can be much smaller than the striping unit if the request does not align with the striping pattern, severely compromising hard disk efficiency and thus application performance. We propose to exploit solid state drives (SSD), whose efficiency is much less sensitive to small random accesses, to enable the alignment of requests to disk with the data striping pattern. In this scheme hard disks mainly serve large, aligned, sequential requests, with SSDs serving small or unaligned requests, thus respecting the relative cost, performance, and durability characteristics of the two media, and thereby achieving synergy in performance/cost. We will describe the design of the proposed scheme, its implementation on CCS-7's Darwin cluster, and performance results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

A quantitative model of application slow-down in multi-resource shared systems

Scheduling multiple jobs onto a platform enhances system utilization by sharing resources. The benefits from higher resource utilization include reduced cost to construct, operate, and maintain a system, which often include energy consumption. Maximizing these benefits comes at a price-resource contention among jobs increases job completion time. In this study, we analyze slow-downs of jobs due to contention for multiple resources in a system; referred to as dilation factor. We observe that multiple-resource contention creates non-linear dilation factors of jobs. From this observation, we establish a general quantitative model for dilation factors of jobs in multi-resource systems. A job is characterized by a vector-valued loading statistics and dilation factors of a job set are given by a quadratic function of their loading vectors. We demonstrate how to systematically characterize a job, maintain the data structure to calculate the dilation factor (loading matrix), and calculate the dilation factor of each job. We validate the accuracy of the model with multiple processes running on a native Linux server, virtualized servers, and with multiple MapReduce workloads co-scheduled in a cluster. Evaluation with measured data shows that the D-factor model has an error margin of less than 16%. We extended the D-factor model to capture the slow-down of applications when multiple identical resources exist such as multi-core environments and multi-disks environments. Finally, validation results of the extended D-factor model with HPC checkpoint applications on the parallel file systems show that D-factor accurately captures the slow down of concurrent applications in such environments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Tau-REx I: A next generation retrieval code for exoplanetary atmospheres

Spectroscopy of exoplanetary atmospheres has become a well established method for the characterization of extrasolar planets. We here present a novel inverse retrieval code for exoplanetary atmospheres. T-REx(Tau Retrieval for Exoplanets) is a line-by-line radiative transfer fully Bayesian retrieval framework. T-REx includes the following features:(1) the optimized use of molecular line lists from the ExoMol project; (2) an unbiased atmospheric composition prior selection, through custom built pattern recognition software; (3) the use of two independent algorithms to fully sample the Bayesian likelihood space: nested sampling as well as a more classical Markov Chain Monte Carlo approach; (4) iterative Bayesian parameter and model selection using the full Bayesian Evidence as well as the Savage–Dickey Ratio for nested models; and (5) the ability to fully map very large parameter spaces through optimal code parallelization and scalability to cluster computing. In this publication we outline the T-REx framework and demonstrate, using a theoretical hot-Jupiter transmission spectrum, the parameter retrieval and model selection. We investigate the impact of signal-to-noise ratio and spectral resolution on the retrievability of individual model parameters, both in terms of error bars on the temperature and molecular mixing ratios as well as its effect on the model’s global Bayesian evidence.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

2016 High Performance Computing Annual Report

Sandia National Laboratories’ California site is celebrating its 60th anniversary (1956 to 2016), and high performance computing has been a key enabler for its scientists and engineers throughout much of its history. Since its founding, Sandia California has helped pioneer the use of HPC platforms including hosting Sandia’s first Cray-1 supercomputer in the 1970s and supporting development of scalable cluster computing platforms to create a new paradigm for cost-effective supercomputing in the 1990s. Recent decades of investment in creation of scalable application frameworks for scientific computing have also enabled new generations of modeling and simulation codes. These resources have facilitated computational analysis of complex phenomena in diverse applications spanning national defense, energy, and homeland security. Today, Sandia California researchers work with partners in academia, industry, and national labs to evolve the state-of-the-art in HPC, modeling, and data analysis (including foundational capabilities for exascale computing platforms) and apply them in transformational ways. Research efforts include mitigating the effects of silent hardware failures that can jeopardize the results of large-scale computations, developing exascale-capable asynchronous task-parallel programming models and runtime systems, formulating new techniques to better explore and analyze extreme-scale data sets, and increasing our understanding of materials and chemical sciences which has applications spanning nuclear weapons stockpile stewardship to more efficient automobile engines. The following section highlights some of these research and applications projects and further illustrates the breadth of our HPC capabilities.

97 MATHEMATICS AND COMPUTING↗