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Graphics Processor Units (GPUs)

This presentation will include information about Graphics Processor Units (GPUs) technology, NASA Electronic Parts and Packaging (NEPP) tasks, The test setup, test parameter considerations, lessons learned, collaborations, a roadmap, NEPP partners, results to date, and future plans.

Single Event Effect (SEE) testing↗

Commercial Off-The-Shelf GPU Qualification for Space Applications

With increased sensor data rates, and limited downlink capability, NASA missions have increased demands for onboard processing for applications ranging from synthetic aperture radar (SAR) data reduction to hyperspectral image processing and recognition, and even artificial intelligence (AI). Graphics Processor Units (GPUs) offer an attractive processing architecture for many of the applications due to their massive parallelism. As no radiation hardened GPU devices currently exist, any near term GPU-based onboard processors must use commercially available devices. To address this need NASA GSFC is collaborating with Cubic Aerospace Incorporated to, (a) characterize the capability of GPUs to meet the demands of a candidate onboard processing application, thereby demonstrating their ability to improve mission performance, reduce spacecraft SWaP, and potentially enable new missions, and (b) evaluate the radiation tolerance of capable COTS GPU devices to determine their suitability for spaceflight applications and understand any mitigations that are needed. A candidate onboard processing image has been prototyped and evaluated on a commercial GPU board and has demonstrated significantly increased processing throughput. Radiation tests for commercial GPU devices are planned for early fiscal year 2019.

Onboard processing↗

The InSAR Scientific Computing Environment 3.0: A Flexible Framework for NISAR Operational and User-Led Science Processing

The InSAR Scientific Computing Environment (ISCE) was first developed under the NASA Advanced Information Systems Technology as a flexible, extensible object-oriented framework for Interferometric Synthetic Aperture Radar (InSAR) processing. The ISCE framework uses Python 3 at the workflow level, controlling modules of compiled code for functional processing, and managing inputs, outputs, and other flow control services. The currently released version, called ISCE 2.1, is distributed to the research community through the Western North America InSAR Consortium under a research license. The ISCE team is working on the next generation of the code in order to prepare for the NASAISRO SAR (NISAR) mission operational processing. Innovations in this code include augmentation or conversion of the custom Python framework elements in ISCE with the Pyre framework, new workflows for interferometric and polarimetric stack processing, a more intuitive and graphically based user interface, and flow control for hybrid computing environments including CPU/GPU clusters, logging and error tracking facilities, and new more efficient computational modules that exploit graphical processor units (GPUs) when available. The ISCE 3.0 framework is designed to work in an operational environment as well as on a single user’s laptop or compute cluster, with services to discover capabilities and scale computations accordingly.

Buckley, Sean M.↗

Acceleration of the IMplicit–EXplicit nonhydrostatic unified model of the atmosphere on manycore processors

We present the acceleration of an IMplicit-EXplicit (IMEX) nonhydrostatic atmospheric model on manycore processors such as graphic processing units (GPUs) and Intel's Many Integrated Core (MIC) architecture. IMEX time integration methods sidestep the constraint imposed by the Courant-Friedrichs-Lewy condition on explicit methods through corrective implicit solves within each time step. In this work, we implement and evaluate the performance of IMEX on manycore processors relative to explicit methods. Using 3D-IMEX at Courant number C = 15, we obtained a speedup of about 4x relative to an explicit time stepping method run with the maximum allowable C = 1. Moreover, the unconditional stability of IMEX with respect to the fast waves means the speedup can increase significantly with the Courant number as long as the accuracy of the resulting solution is acceptable. We show a speedup of 100x at C = 150 using 1D-IMEX to demonstrate this point. Several improvements on the IMEX procedure were necessary in order to outperform our results with explicit methods: (a) reducing the number of degrees of freedom of the IMEX formulation by forming the Schur complement, (b) formulating a horizontally explicit vertically implicit 1D-IMEX scheme that has a lower workload and better scalability than 3D-IMEX, (c) using high-order polynomial preconditioners to reduce the condition number of the resulting system, and (d) using a direct solver for the 1D-IMEX method by performing and storing LU factorizations once to obtain a constant cost for any Courant number. Without all of these improvements, explicit time integration methods turned out to be difficult to beat. We discuss in detail the IMEX infrastructure required for formulating and implementing efficient methods on manycore processors. Several parametric studies are conducted to demonstrate the gain from each of the abovementioned improvements. Lastly, we validate our results with standard benchmark problems in numerical weather prediction and evaluate the performance and scalability of the IMEX method using up to 4192 GPUs and 16 Knights Landing processors.

97 MATHEMATICS AND COMPUTING↗

Recent advances in describing and driving crystal nucleation using machine learning and artificial intelligence

With the advent of faster computer processors and especially graphics processing units (GPUs) over the last few decades, the use of data-intensive machine learning (ML) and artificial intelligence (AI) has increased greatly, and the study of crystal nucleation has been one of the beneficiaries. In this study, we outline how ML and AI have been applied to address four outstanding difficulties of crystal nucleation: how to discover better reaction coordinates (RCs) for describing accurately non-classical nucleation situations; the development of more accurate force fields for describing the nucleation of multiple polymorphs or phases for a single system; more robust identification methods for determining crystal phases and structures; and as a method to yield improved course-grained models for studying nucleation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

GPU coprocessors as a service for deep learning inference in high energy physics

In the next decade, the demands for computing in large scientific experiments are expected to grow tremendously. During the same time period, CPU performance increases will be limited. At the CERN Large Hadron Collider (LHC), these two issues will confront one another as the collider is upgraded for high luminosity running. Alternative processors such as graphics processing units (GPUs) can resolve this confrontation provided that algorithms can be sufficiently accelerated. In many cases, algorithmic speedups are found to be largest through the adoption of deep learning algorithms. We present a comprehensive exploration of the use of GPU-based hardware acceleration for deep learning inference within the data reconstruction workflow of high energy physics. We present several realistic examples and discuss a strategy for the seamless integration of coprocessors so that the LHC can maintain, if not exceed, its current performance throughout its running.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

GPU-based parallel algorithm for generating massive scale-free networks using the preferential attachment model

A novel parallel algorithm is presented for generating random scale-free networks using the preferential-attachment model. The algorithm, named cuPPA, is custom-designed for single instruction multiple data (SIMD) style of parallel processing supported by modern processors such as graphical processing units (GPUs). To the best of our knowledge, our algorithm is the first to exploit GPUs, and also the fastest implementation available today, to generate scale-free networks using the preferential attachment model. A detailed performance study is presented to understand the scalability and runtime characteristics of the cuPPA algorithm. In one of the best cases, when executed on an NVidia GeForce 1080 GPU, cuPPA generates a scale-free network of two billion edges in less than 3 seconds.

Alam, Maksudul↗

Evaluation of the OpenCL AES Kernel using the Intel FPGA SDK for OpenCL

The OpenCL standard is an open programming model for accelerating algorithms on heterogeneous computing system. OpenCL extends the C-based programming language for developing portable codes on different platforms such as CPU, Graphics processing units (GPUs), Digital Signal Processors (DSPs) and Field Programmable Gate Arrays (FPGAs). The Intel FPGA SDK for OpenCL is a suite of tools that allows developers to abstract away the complex FPGA-based development flow for a high-level software development flow. Users can focus on the design of hardware-accelerated kernel functions in OpenCL and then direct the tools to generate the low-level FPGA implementations. The approach makes the FPGA-based development more accessible to software users as the needs for hybrid computing using CPUs and FPGAs are increasing. It can also significantly reduce the hardware development time as users can evaluate different ideas with high-level language without deep FPGA domain knowledge. In this report, we evaluate the performance of the kernel using the Intel FPGA SDK for OpenCL and Nallatech 385A FPGA board. Compared to the M506 module, the board provides more hardware resources for a larger design exploration space. The kernel performance is measured with the compute kernel throughput, an upper bound to the FPGA throughput. The report presents the experimental results in details. The Appendix lists the kernel source code.

97 MATHEMATICS AND COMPUTING↗

Evaluation of CHO Benchmarks on the Arria 10 FPGA using Intel FPGA SDK for OpenCL

The OpenCL standard is an open programming model for accelerating algorithms on heterogeneous computing system. OpenCL extends the C-based programming language for developing portable codes on different platforms such as CPU, Graphics processing units (GPUs), Digital Signal Processors (DSPs) and Field Programmable Gate Arrays (FPGAs). The Intel FPGA SDK for OpenCL is a suite of tools that allows developers to abstract away the complex FPGA-based development flow for a high-level software development flow. Users can focus on the design of hardware-accelerated kernel functions in OpenCL and then direct the tools to generate the low-level FPGA implementations. The approach makes the FPGA-based development more accessible to software users as the needs for hybrid computing using CPUs and FPGAs are increasing. It can also significantly reduce the hardware development time as users can evaluate different ideas with high-level language without deep FPGA domain knowledge. Benchmarking of OpenCL-based framework is an effective way for analyzing the performance of system by studying the execution of the benchmark applications. CHO is a suite of benchmark applications that provides support for OpenCL [1]. The authors presented CHO as an OpenCL port of the CHStone benchmark. Using Altera OpenCL (AOCL) compiler to synthesize the benchmark applications, they listed the resource usage and performance of each kernel that can be successfully synthesized by the compiler. In this report, we evaluate the resource usage and performance of the CHO benchmark applications using the Intel FPGA SDK for OpenCL and Nallatech 385A FPGA board that features an Arria 10 FPGA device. The focus of the report is to have a better understanding of the resource usage and performance of the kernel implementations using Arria-10 FPGA devices compared to Stratix-5 FPGA devices. In addition, we also gain knowledge about the limitations of the current compiler when it fails to synthesize a benchmark application.

97 MATHEMATICS AND COMPUTING↗

Generating Billion-Edge Scale-Free Networks in Seconds: Performance Study of a Novel GPU-based Preferential Attachment Model

A novel parallel algorithm is presented for generating random scale-free networks using the preferential-attachment model. The algorithm, named cuPPA, is custom-designed for single instruction multiple data (SIMD) style of parallel processing supported by modern processors such as graphical processing units (GPUs). To the best of our knowledge, our algorithm is the first to exploit GPUs, and also the fastest implementation available today, to generate scale free networks using the preferential attachment model. A detailed performance study is presented to understand the scalability and runtime characteristics of the cuPPA algorithm. In one of the best cases, when executed on an NVidia GeForce 1080 GPU, cuPPA generates a scale free network of a billion edges in less than 2 seconds.

97 MATHEMATICS AND COMPUTING↗

Parallel accelerated vector similarity calculations for genomics applications

The surge in availability of genomic data holds promise for enabling determination of genetic causes of observed individual traits, with applications to problems such as discovery of the genetic roots of phenotypes, be they molecular phenotypes such as gene expression or metabolite concentrations, or complex phenotypes such as diseases. However, the growing sizes of these datasets and the quadratic, cubic or higher scaling characteristics of the relevant algorithms pose a serious computational challenge necessitating use of leadership scale computing. In this study we describe a new approach to performing vector similarity metrics calculations, suitable for parallel systems equipped with graphics processing units (GPUs) or Intel Xeon Phi processors. Our primary focus is the Proportional Similarity metric applied to Genome Wide Association Studies (GWAS) and Phenome Wide Association Studies (PheWAS). We describe the implementation of the algorithms on accelerated processors, methods used for eliminating redundant calculations due to symmetries, and techniques for efficient mapping of the calculations to many-node parallel systems. Finally, results are presented demonstrating high per-node performance and parallel scalability with rates of more than five quadrillion (5 × 10 15 ) elementwise comparisons achieved per second on the ORNL Titan system. In a companion paper we describe corresponding techniques applied to calculations of the Custom Correlation Coefficient for comparative genomics applications.

59 BASIC BIOLOGICAL SCIENCES↗

Parallel accelerated Custom Correlation Coefficient calculations for genomics applications

The massive quantities of genomic data being made available through gene sequencing techniques are enabling breakthroughs in genomic science in many areas such as medical advances in the diagnosis and treatment of diseases. Analyzing this data, however, is a computational challenge insofar as the computational costs of the relevant algorithms can grow with quadratic, cubic or higher complexity—leading to the need for leadership scale computing. In this paper we describe a new approach to calculations of the Custom Correlation Coefficient (CCC) between Single Nucleotide Polymorphisms (SNPs) across a population, suitable for parallel systems equipped with graphics processing units (GPUs) or Intel Xeon Phi processors. We describe the mapping of the algorithms to accelerated processors, techniques used for eliminating redundant calculations due to symmetries, and strategies for efficient mapping of the calculations to many-node parallel systems. Results are presented demonstrating high per-node performance and near-ideal parallel scalability with rates of more than nine quadrillion (9 × 10 15 ) elementwise comparisons achieved per second with the latest optimized code on the ORNL Titan system, this being orders of magnitude faster than rates achieved using other codes and platforms as reported in the literature. Also it is estimated that as many as 90 quadrillion (90 × 10 15 ) comparisons per second may be achievable on the upcoming ORNL Summit system, an additional 10X performance increase. Finally, in a companion paper we describe corresponding techniques applied to calculations of the Proportional Similarity metric for comparative genomics applications.

97 MATHEMATICS AND COMPUTING↗

Mesoflow: An Open-Source Reacting Flow Solver for Catalysis at Mesoscale

We present the capabilities and software performance metrics of our open-source continuum solver for catalysis, Mesoflow, developed specifically for modeling transport and chemistry at the mesoscale. Our solver utilizes Cartesian block-structured adaptive mesh refinement to resolve complex catalyst surface morphologies directly obtained from X-ray tomography data. An immersed boundary based formulation enables rapid representation of complex geometries prevalent in most mesoporous catalyst interfaces. The solver is developed on top of open-source performance portable library, AMReX, providing parallel execution capabilities on current and upcoming high-performance-computing (HPC) architectures. Our flexible software framework enables integration of complex chemical mechanisms at heterogenous interfaces and time-split algorithms for circumventing highly disparate reaction and flow time-scales. Our current studies indicate a ten-fold performance gain by using graphics-processing-units (GPUs) compared to a single processor for representative problem sizes (2 million cell mesh). We will also present a brief introduction on how to build and use this software for application problems pertaining to catalytic upgrading and gas transport within porous catalyst particles.

adaptive meshing↗

Algorithmic Patterns for $$\mathcal {H}$$-Matrices on Many-Core Processors

In this work, we consider the reformulation of hierarchical ( \(\mathcal {H}\) ) matrix algorithms for many-core processors with a model implementation on graphics processing units (GPUs). \(\mathcal {H}\) matrices approximate specific dense matrices, e.g., from discretized integral equations or kernel ridge regression, leading to log-linear time complexity in dense matrix–vector products. The parallelization of \(\mathcal {H}\) matrix operations on many-core processors is difficult due to the complex nature of the underlying algorithms. While previous algorithmic advances for many-core hardware focused on accelerating existing \(\mathcal {H}\) matrix CPU implementations by many-core processors, we here aim at totally relying on that processor type. As main contribution, we introduce the necessary parallel algorithmic patterns allowing to map the full \(\mathcal {H}\) matrix construction and the fast matrix–vector product to many-core hardware. In this work, crucial ingredients are space filling curves, parallel tree traversal and batching of linear algebra operations. The resulting model GPU implementation hmglib is the, to the best of the authors knowledge, first entirely GPU-based Open Source \(\mathcal {H}\) matrix library of this kind. We investigate application examples as present in kernel ridge regression, Gaussian Process Regression and kernel-based interpolation. In this context, an in-depth performance analysis and a comparative performance study against a standard multi-core CPU \(\mathcal {H}\) matrix library highlights profound speedups of our many-core parallel approach.

97 MATHEMATICS AND COMPUTING↗

Radiation specification and testing of heterogenous microprocessor SOCs

Modern commercial microprocessor devices include multiple processor architectures, buses, basic peripherals, and application hardware such as Graphics Processing Units (GPUs) and Digital Signal Processors (DSPs) in one device. Developing RHBD versions of similar devices risks sacrificing processing performance for system-wide radiation requirements. The heterogenous structure of modern commercial system on a chip (SOC) devices, in design and performance goals for subsystems, suggests a similar approach to specifying Radiation Hardened by Design (RHBD) requirements.

Ballast, Jon↗

Real-time data analysis for medical diagnosis using FPGA-accelerated neural networks

Real-time analysis of patient data during medical procedures can provide vital diagnostic feedback that significantly improves chances of success. With sensors becoming increasingly fast, frameworks such as Deep Neural Networks are required to perform calculations within the strict timing constraints for real-time operation. However, traditional computing platforms responsible for running these algorithms incur a large overhead due to communication protocols, memory accesses, and static (often generic) architectures. In this work, we implement a low-latency Multi-Layer Perceptron (MLP) processor using Field Programmable Gate Arrays (FPGAs). Unlike CPUs and Graphics Processing Units (GPUs), our FPGA-based design can directly interface sensors, storage devices, display devices and even actuators, thus reducing the delays of data movement between ports and compute pipelines. Moreover, the compute pipelines themselves are tailored specifically to the application, improving resource utilization and reducing idle cycles. We demonstrate the effectiveness of our approach using mass-spectrometry data sets for real-time cancer detection. We demonstrate that correct parameter sizing, based on the application, can reduce latency by 20% on average. Furthermore, we show that in an application with tightly coupled data-path and latency constraints, having a large amount of computing resources can actually reduce performance. Using mass-spectrometry benchmarks, we show that our proposed FPGA design outperforms both CPU and GPU implementations, with an average speedup of 144x and 21x, respectively. In our work, we demonstrate the importance of application-specific optimizations in order to minimize latency and maximize resource utilization for MLP inference. By directly interfacing and processing sensor data with ultra-low latency, FPGAs can perform real-time analysis during procedures and provide diagnostic feedback that can be critical to achieving higher percentages of successful patient outcomes.

60 APPLIED LIFE SCIENCES↗

High-performance computing in water resources hydrodynamics

In this work, we present a vision of future water resources hydrodynamics codes that can fully utilize the strengths of modern high-performance computing. The advances to computing power, formerly driven by the improvement of central processing unit processors, now focus on parallel computing and, in particular, the use of graphics processing units (GPUs). However, this shift to a parallel framework requires refactoring the code to make efficient use of the data as well as changing even the nature of the algorithm that solves the system of equations. These concepts along with other features such as the precision for the computations, dry regions management, and input/output data are analyzed in this paper. A 2D multi-GPU flood code applied to a large-scale test case is used to corroborate our statements and ascertain the new challenges for the next-generation parallel water resources codes.

54 ENVIRONMENTAL SCIENCES↗

Designing and Implementing an OVERFLOW Reader for ParaView and Comparing Performance Between Central Processing Units and Graphical Processing Units

In the Applied Aerosciences and CFD branch at Johnson Space Center, computational simulations are run that face many challenges. Two of which are the ability to customize software for specialized needs and the need to run simulations as fast as possible. There are many different tools that are used for running these simulations and each one has its own pros and cons. Once these simulations are run, there needs to be software capable of visualizing the results in an appealing manner. Some of this software is called open source, meaning that anyone can edit the source code to make modifications and distribute it to all other users in a future release. This is very useful, especially in this branch where many different tools are being used. File readers can be written to load any file format into a program, to ease the bridging from one tool to another. Programming such a reader requires knowledge of the file format that is being read as well as the equations necessary to obtain the derived values after loading. When running these CFD simulations, extremely large files are being loaded and having values being calculated. These simulations usually take a few hours to complete, even on the fastest machines. Graphics processing units (GPUs) are usually used to load the graphics for computers; however, in recent years, GPUs are being used for more generic applications because of the speed of these processors. Applications run on GPUs have been known to run up to forty times faster than they would on normal central processing units (CPUs). If these CFD programs are extended to run on GPUs, the amount of time they would require to complete would be much less. This would allow more simulations to be run in the same amount of time and possibly perform more complex computations.

Chawner, David M.↗