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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Technical Note: Implementation of biological washout processes within GATE/GEANT4—A Monte Carlo study in the case of carbon therapy treatments

Purpose: The imaging of positron emitting isotopes produced during patient irradiation is the only in vivo method used for hadrontherapy dose monitoring in clinics nowadays. However, the accuracy of this method is limited by the loss of signal due to the metabolic decay processes (biological washout). In this work, a generic modeling of washout was incorporated into the GATE simulation platform. Additionally, the influence of the washout on the β{sup +} activity distributions in terms of absolute quantification and spatial distribution was studied. Methods: First, the irradiation of a human head phantom with a {sup 12}C beam, so that a homogeneous dose distribution was achieved in the tumor, was simulated. The generated {sup 11}C and {sup 15}O distribution maps were used as β{sup +} sources in a second simulation, where the PET scanner was modeled following a detailed Monte Carlo approach. The activity distributions obtained in the presence and absence of washout processes for several clinical situations were compared. Results: Results show that activity values are highly reduced (by a factor of 2) in the presence of washout. These processes have a significant influence on the shape of the PET distributions. Differences in the distal activity falloff position of 4 mm are observed for a tumor dose deposition of 1 Gy (T{sub ini} = 0 min). However, in the case of high doses (3 Gy), the washout processes do not have a large effect on the position of the distal activity falloff (differences lower than 1 mm). The important role of the tumor washout parameters on the activity quantification was also evaluated. Conclusions: With this implementation, GATE/GEANT 4 is the only open-source code able to simulate the full chain from the hadrontherapy irradiation to the PET dose monitoring including biological effects. Results show the strong impact of the washout processes, indicating that the development of better models and measurement of biological washout data are essential.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

Automatic Parallelization of Numerical Python Applications using the Global Arrays Toolkit

Global Arrays is a software system from Pacific Northwest National Laboratory that enables an efficient, portable, and parallel shared-memory programming interface to manipulate distributed dense arrays. The NumPy module is the de facto standard for numerical calculation in the Python programming language, a language whose use is growing rapidly in the scientific and engineering communities. NumPy provides a powerful N-dimensional array class as well as other scientific computing capabilities. However, like the majority of the core Python modules, NumPy is inherently serial. Using a combination of Global Arrays and NumPy, we have reimplemented NumPy as a distributed drop-in replacement called Global Arrays in NumPy (GAiN). Serial NumPy applications can become parallel, scalable GAiN applications with only minor source code changes. Scalability studies of several different GAiN applications will be presented showing the utility of developing serial NumPy codes which can later run on more capable clusters or supercomputers.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2014

There goes the neighborhood: performance degradation due to nearby jobs

Predictable performance is important for understanding and alleviating application performance issues; quantifying the effects of source code, compiler, or system software changes; estimating the time required for batch jobs; and determining the allocation requests for proposals. Our experiments show that on a Cray XE system, the execution time of a communication-heavy parallel application ranges from 28% faster to 41% slower than the average observed performance. Blue Gene systems, on the other hand, demonstrate no noticeable run-to-run variability. In this paper, we focus on Cray machines and investigate potential causes for performance variability such as OS jitter, shape of the allocated partition, and interference from other jobs sharing the same network links. Reducing such variability could improve overall throughput at a computer center and save energy costs.

Computer Science↗
DOE OSTI2014

Trace-Driven Memory Access Pattern Recognition in Computational Kernels. In: WOSC '14 Proceedings of the Second Workshop on Optimizing Stencil Computations

Classifying memory access patterns is paramount to the selection of the right set of optimizations and determination of the parallelization strategy. Static analyses suffer from ambiguities present in source code, which modern compilation techniques, such as profile-guided optimization, alleviate by observing runtime behavior and feeding back into the compilation flow. This paper discusses a dynamic analysis technique for recognizing memory access patterns, with application to the stencils domain, and presents our design and C++ implementation using the memory-tracing tool Gleipnir. Finally, we evaluate and discuss the performance and matching capability of our classifiers in the context of the Polybench scientific benchmark suite, which includes both stencil and matrix computations.

Park, Eunjung↗
DOE OSTI2015

COMPASS: A Framework for Automated Performance Modeling and Prediction

Flexible, accurate performance predictions offer numerous benefits such as gaining insight into and optimizing applications and architectures. However, the development and evaluation of such performance predictions has been a major research challenge, due to the architectural complexities. To address this challenge, we have designed and implemented a prototype system, named COMPASS, for automated performance model generation and prediction. COMPASS generates a structured performance model from the target application's source code using automated static analysis, and then, it evaluates this model using various performance prediction techniques. As we demonstrate on several applications, the results of these predictions can be used for a variety of purposes, such as design space exploration, identifying performance tradeoffs for applications, and understanding sensitivities of important parameters. COMPASS can generate these predictions across several types of applications from traditional, sequential CPU applications to GPU-based, heterogeneous, parallel applications. Our empirical evaluation demonstrates a maximum overhead of 4%, flexibility to generate models for 9 applications, speed, ease of creation, and very low relative errors across a diverse set of architectures.

Lee, Seyong↗
DOE OSTI2016

On Fusing Recursive Traversals of K-d Trees

Loop fusion is a key program transformation for data locality optimization that is implemented in production compilers. But optimizing compilers currently cannot exploit fusion opportunities across a set of recursive tree traversal computations with producer-consumer relationships. In this paper, we develop a compile-time approach to dependence characterization and program transformation to enable fusion across recursively specified traversals over k-ary trees. We present the FuseT source-to-source code transformation framework to automatically generate fused composite recursive operators from an input program containing a sequence of primitive recursive operators. We use our framework to implement fused operators for MADNESS, Multiresolution Adaptive Numerical Environment for Scientific Simulation. We show that locality optimization through fusion can offer more than an order of magnitude performance improvement.

data locality↗
DOE OSTI2018

Lightweight Detection of Cache Conflicts

In memory hierarchies, caches perform an important role in reducing average memory access latency. Minimizing cache misses can yield significant performance gains. As set-associative caches are widely used in modern architectures, capacity and conflict cache misses co-exist. These two types of cache misses require different optimization strategies. While cache misses are commonly studied using cache simulators, state-of-the-art simulators usually incur hundreds to thousands of times a program’s execution runtime. Moreover, a simulator has difficulty in simulating complex real hardware. To overcome these limitations, measurement methods are proposed to directly monitor program execution on real hardware via performance monitoring units. However, existing measurement-based tools either focus on capacity cache misses or do not distinguish capacity and conflict cache misses. In this paper, we design and implement CCProf, a lightweight measurement-based profiler that identifies conflict cache misses and associates them with program source code and data structures. CCProf incurs moderate runtime overhead that is at least an order of magnitude lower than simulators. With the evaluation on a number of representative programs, CCProf is able to guide optimizations on cache conflict misses and obtain nontrivial speedups.

Roy, Probir↗
DOE OSTI2018

Juggler: a dependence-aware task-based execution framework for GPUs

Scientific applications with single instruction, multiple data (SIMD) computations show considerable performance improvements when run on today's graphics processing units (GPUs). However, the existence of data dependences across thread blocks may significantly impact the speedup by requiring global synchronization across multiprocessors (SMs) inside the GPU. To efficiently run applications with interblock data dependences, we need fine-granular task-based execution models that will treat SMs inside a GPU as stand-alone parallel processing units. Such a scheme will enable faster execution by utilizing all internal computation elements inside the GPU and eliminating unnecessary waits during device-wide global barriers.In this paper, we propose Juggler, a task-based execution scheme for GPU workloads with data dependences. The Juggler framework takes applications embedding OpenMP 4.5 tasks as input and executes them on the GPU via an efficient in-device runtime, hence eliminating the need for kernel-wide global synchronization. Juggler requires no or little modification to the source code, and once launched, the runtime entirely runs on the GPU without relying on the host through the entire execution. We have evaluated Juggler on an NVIDIA Tesla P100 GPU and obtained up to 31% performance improvement against global barrier based implementation, with minimal runtime overhead.

Belviranli, Mehmet E.↗
DOE OSTI2019

Evaluating the effectiveness of program data features for guiding memory management

Recent trends have led to the adoption of larger and more complex memory systems, often with multiple tiers of memory performance within the same platform. To utilize complex memory systems efficiently, current data management strategies must be altered to map usage demands to the underlying hardware. Applications, as the generators of memory accesses, are well-suited to guide this process, but building and maintaining separate source code versions for different memory systems is not feasible in most cases. One potential solution is to employ automated program profiling and analysis to facilitate the production of application-based guidance. By attaching memory usage information to static or lightweight program features, compilers and runtime systems can generate fine-grained guidance without additional efforts from users or developers. Recent works have employed this approach with some success, but it is not clear which program features are most useful for guiding data management.This work evaluates the effectiveness of using different program data features to predict memory usage and guide memory management. It employs a custom set of simulation tools, based in the Intel® Pin framework, to collect and analyze the usage characteristics of application data associated with common program data features, such as allocation sites, types, and context. The results show that even relatively simple features, such as object size, are useful for selecting data with similar usage properties, but finer-grained features, such as the instructions that access a particular object, are often much more effective. Additionally, this work evaluates the performance of using different data features and different program inputs to guide data placement on a heterogeneous memory platform with a limited amount of high performance memory.

Effler, T. Chad↗
DOE OSTI2023

MatRIS: Multi-level Math Library Abstraction for Heterogeneity and Performance Portability using IRIS Runtime

Vendor libraries are tuned for a specific architecture and are not portable to others. Moreover, they lack support for heterogeneity and multi-device orchestration, which is required for efficient use of contemporary HPC and cloud resources. To address these challenges, we introduce MatRIS—a multilevel math library abstraction for scalable and performance-portable sparse/dense BLAS/LAPACK operations using IRIS runtime. The MatRIS-IRIS co-design introduces three levels of abstraction to make the implementation completely architecture agnostic and provide highly productive programming. We demonstrate that MatRIS is portable without any change in source code and can fully utilize multi-device heterogeneous systems by achieving high performance and scalability on Summit, Frontier, and a CADES cloud node equipped with four NVIDIA A100 GPUs and four AMD MI100 GPUs. A detailed performance study is presented in which MatRIS demonstrates multi-device scalability. When compared, MatRIS provides competitive and even better performance than libraries from vendors and other third parties.

Monil, M. A. H.↗
DOE OSTI2023

Fast 2D Bicephalous Convolutional Autoencoder for Compressing 3D Time Projection Chamber Data

High-energy large-scale particle colliders produce data at high speed in the order of 1 terabytes per second in nuclear physics and petabytes per second in high energy physics. Developing real-time data compression algorithms to reduce such data at high throughput to fit permanent storage has drawn increasing attention. Specifically, at the newly constructed sPHENIX experiment at the Relativistic Heavy Ion Collider (RHIC), a time projection chamber is used as the main tracking detector, which records particle trajectories in a volume of three-dimensional (3D) cylinder. The resulting data are usually very sparse with occupancy around 10.8%. Such sparsity presents a challenge to conventional learning-free lossy compression algorithms, such as SZ, ZFP, and MGARD. The 3D convolutional neural network (CNN)-based approach, Bicephalous Convolutional Autoencoder (BCAE), outperforms traditional methods both in compression rate and reconstruction accuracy. BCAE can also utilize the computation power of graphical processing units suitable for deployment in a modern heterogeneous highperformance computing environment. This work introduces two BCAE variants: BCAE++ and BCAE-2D. BCAE++ achieves a 15% better compression ratio and a 77% better reconstruction accuracy measured in mean absolute error compared with BCAE. BCAE-2D treats the radial direction as the channel dimension of an image, resulting in a 3× speedup in compression throughput. In addition, we demonstrate an unbalanced autoencoder with a larger decoder can improve reconstruction accuracy without significantly sacrificing throughput. Lastly, we observe both the BCAE++ and BCAE-2D can benefit more from using half-precision mode in throughput (76 - 79% increase) without loss in reconstruction accuracy. The source code and links to data and pretrained models can be found at https://github.com/BNL-DAQ-LDRD/NeuralCompression_v2

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

KiT-RT: An Extendable Framework for Radiative Transfer and Therapy

Here, in this article, we present Kinetic Transport Solver for Radiation Therapy (KiT-RT), an open-source C++-based framework for solving kinetic equations in therapy applications available at https://github.com/CSMMLab/KiT-RT . This software framework aims to provide a collection of classical deterministic solvers for unstructured meshes that allow for easy extendability. Therefore, KiT-RT is a convenient base to test new numerical methods in various applications and compare them against conventional solvers. The implementation includes spherical harmonics, minimal entropy, neural minimal entropy, and discrete ordinates methods. Solution characteristics and efficiency are presented through several test cases ranging from radiation transport to electron radiation therapy. Due to the variety of included numerical methods and easy extendability, the presented open-source code is attractive for both developers, who want a basis to build their numerical solvers, and users or application engineers, who want to gain experimental insights without directly interfering with the codebase.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Streaming Data in HPC Workflows Using ADIOS

The “IO Wall” problem, in which the gap between computation rate and data access rate grows continuously, poses significant problems to scientific workflows which have traditionally relied upon using the filesystem for intermediate storage between workflow stages. One way to avoid this problem in scientific workflows is to stream data directly from producers to consumers and avoiding storage entirely. However, the manner in which this is accomplished is key to both performance and usability. This paper presents the Sustainable Staging Transport, an approach which allows direct streaming between traditional file writers and readers with few application changes. SST is an ADIOS “engine”, accessible via standard ADIOS APIs, and because ADIOS allows engines to be chosen at run-time, many existing file-oriented ADIOS workflows can utilize SST for direct application-to-application communication without any source code changes. This paper describes the design of SST and presents performance results from various applications that use SST, for feeding model training with simulation data with substantially higher bandwidth than the theoretical limits of Frontier’s file system, for strong coupling of separately developed applications for multiphysics multiscale simulation, or for in situ analysis and visualization of data to complete all data processing shortly after the simulation finishes.

Podhorszki, Norbert [ORNL] (ORCID:000000019647542X↗
DOE OSTI2019

Sierra Center of Excellence: Lessons Learned

The introduction of heterogeneous computing via GPUs from the Sierra architecture represented a significant shift in direction for computational science at Lawrence Livermore National Laboratory (LLNL), and therefore required significant preparation. Over the last five years, the Sierra Center of Excellence (CoE) has brought employees with specific expertise from IBM and NVIDIA together with LLNL in a concentrated effort to prepare applications, system software, and tools for the Sierra supercomputer. This article shares the process we applied for the CoE and documents lessons learned during the collaboration, with the hope that others will be able to learn from both our success and intermediate setbacks. We describe what we have found to work for the management of such a collaboration and best practices for algorithms and source code, system configuration and software stack, tools, and application performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Python import replacement

SmartImport.py is a Python source-code file that implements a replacement for the standard Python module importer. The code is derived from knee.py, a file in the standard Python diestribution , and adds functionality to improve the performance of Python module imports in massively parallel contexts.

Source record↗
DOE OSTI2011

Xpetra Package

Xpetra provides a single interface that allows the use of either Epetra or Tpetra linear algebra libraries from the same source code. Library developers need only learn and use the syntax of Xpetra; the resulting libraries can use either Epetra or Tpetra.

Gerstenberger, Axel↗
DOE OSTI2011

MueLu Multigrid Preconditioning Package

MueLu is intended for the research and development of multigrid algorithms used in the solution of sparse linear systems arising from systems of partial differential equations. The software provides multigrid source code, test programs, and short example programs to demonstrate the various interfaces for creating, accessing, and applying the solvers. MueLu currently provides an implementation of smoothed aggregation algebraic multigrid method and interfaces to many commonly used smoothers. However, the software is intended to be extensible, and new methods can be incorporated easily. MueLu also allows for advanced usage, such as combining multiple methods and segregated solves. The library supports point and block access to matrix data. All algorithms and methods in MueLu have been or will be published in the open scientific literature.

Tuminaro, Raymond↗
DOE OSTI2014

ARM Data Integrator

The Atmospheric Radiation Measurement (ARM) Data Integrator (ADI) streamlines the development of scientific algorithms and analysis of time-series NetCDF data, and improves the content and consistency of the output data products produced by these algorithms. The framework automates the process of retrieving and preparing data for analysis, and allows users to design output data products through a graphical interface. It also provides a modular, flexible software development architecture that scientists can use to generate C, Python, and IDL source code templates that embed the pre and post processing logic allowing the scientist to focus on only their science. The input data, preprocessing, and output data specifications of algorithms are defined through a graphical interface and stored in a database. ADI implements workflow for data integration and supports user access to data through a library of software modules. Data preprocess capabilities supported include automated retrieval of data from input files, merging the retrieved data into appropriately sized chunks, and transformation of the data onto a common coordinate system grid. Through the graphical interface, users can view the details of both their data products and those in the ARM catalog and allows developers to use existing data product to build new data products. Views of the output data products include an overlay of how the design meets ARM archive's data standards providing the user with a visual cue indicating where their output violates an archive standard. The ADI libraries access the information provided through the GUI via a Postgres database. The ADI framework and its supporting components can significantly decrease the time and cost of implementing scientific algorithms while improving the ability of scientists to disseminate their results.

Source record↗