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At least 271 records · Page 15

A survey of software implementations used by application codes in the Exascale Computing Project

The US Department of Energy Office of Science and the National Nuclear Security Administration initiated the Exascale Computing Project (ECP) in 2016 to prepare mission-relevant applications and scientific software for the delivery of the exascale computers starting in 2023. The ECP currently supports 24 efforts directed at specific applications and six supporting co-design projects. These 24 application projects contain 62 application codes that are implemented in three high-level languages—C, C++, and Fortran—and use 22 combinations of graphical processing unit programming models. The most common implementation language is C++, which is used in 53 different application codes. The most common programming models across ECP applications are CUDA and Kokkos, which are employed in 15 and 14 applications, respectively. This article provides a survey of the programming languages and models used in the ECP applications codebase that will be used to achieve performance on the future exascale hardware platforms.

97 MATHEMATICS AND COMPUTING↗

ASC Trilab L2 Codesign Milestone 2015

For the FY15 ASC L2 Trilab Codesign milestone Sandia National Laboratories performed two main studies. The first study investigated three topics (performance, cross-platform portability and programmer productivity) when using OpenMP directives and the RAJA and Kokkos programming models available from LLNL and SNL respectively. The focus of this first study was the LULESH mini-application developed and maintained by LLNL. In the coming sections of the report the reader will find performance comparisons (and a demonstration of portability) for a variety of mini-application implementations produced during this study with varying levels of optimization. Of note is that the implementations utilized including optimizations across a number of programming models to help ensure claims that Kokkos can provide native-class application performance are valid. The second study performed during FY15 is a performance assessment of the MiniAero mini-application developed by Sandia. This mini-application was developed by the SIERRA Thermal-Fluid team at Sandia for the purposes of learning the Kokkos programming model and so is available in only a single implementation. For this report we studied its performance and scaling on a number of machines with the intent of providing insight into potential performance issues that may be experienced when similar algorithms are deployed on the forthcoming Trinity ASC ATS platform.

97 MATHEMATICS AND COMPUTING↗

Early experiences evaluating the HPE/Cray ecosystem for AMD GPUs

Summary The Oak Ridge Leadership Computing Facility (OLCF) has a long history of supporting and promoting GPU‐accelerated computing starting with the deployment of the Titan supercomputer in 2021 and continuing with the Summit supercomputer which has a theoretical peak performance of approximately 200 petaflops. Because the majority of Summit's computational power comes from its 27,972 GPUs, users must port their applications to one of the supported programming models in order to make efficient use of the system. To prepare the transition to Frontier, the OLCF's exascale supercomputer, users will need to adapt to an entirely new ecosystem which will include new hardware and software technologies. First, users will need to familiarize themselves with the AMD Radeon GPU architecture. Furthermore, users who have been previously relying on CUDA will need to transition to the Heterogeneous‐Computing Interface for Portability (HIP) or one of the other supported programming models (e.g., OpenMP, OpenACC). In this work, we describe our initial experiences and lessons learned in porting three applications or proxy apps currently running on Summit to the HPE/Cray ecosystem to leverage the compute power from AMD GPUs: minisweep, GenASiS, and Sparkler. Each one is representative of current production workloads utilized at the OLCF, different programming languages, and different programming models.

Melesse Vergara, Verónica G.↗

Optimally configuring a measurement system to detect diversions from a nuclear fuel cycle

The civilian nuclear fuel cycle is an industrial process that produces electrical power from the nuclear fission of uranium. Using a measurement system to accurately account for nuclear material, such as uranium, in a fuel cycle is important because of the possible loss or diversion of this potentially dangerous material. A measurement system is defined by a set of measurement methods, or “devices,” used to account for material flows and inventory values at specific locations in the fuel cycle. Here, we develop a simulation-optimization algorithm and an integer-programming model to find the best, or near-best, resource-limited measurement system with a high degree of confidence. The simulation-optimization algorithm minimizes a weighted sum of false positive and false negative diversion-detection probabilities while accounting for material quantities and measurement errors across a finite, discrete time horizon in hypothetical non-diversion and diversion contexts. In each time period, the estimated cumulative material unaccounted for is compared to a fixed or an optimized threshold value to assess if a “significant amount of material” is lost from a measurement system. The integer-programming model minimizes the population variance of the estimated material loss, i.e., material unaccounted for, in a measurement system. We analyze three potential problems in nuclear fuel cycle measurement systems: (i) given location-dependent device precisions, find the configuration of n devices at n locations ( n = 3) that gives the lowest corresponding objective values using the simulation-optimization algorithm and integer-programming model, (ii) find the location at which improving device precision reduces objective values the most using the simulation-optimization algorithm, and determine the effect of measurement frequency on measurement system configurations and objective values using the simulation-optimization algorithm. We obtain comparable results for each problem at least an order of magnitude faster than existing methods do. Using an optimized, rather than fixed, detection threshold in the simulation-optimization algorithm reduces the weighted sum of false positive and false negative probabilities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Case Study of Using Kokkos and SYCLs Performance-Portable Frameworks for Milc-Dslash Benchmark on NVIDIA, AMD and Intel GPUs

Six of the top ten supercomputers in the TOP500 list from June 2021 rely on NVIDIA GPUs to achieve their peak compute bandwidth. With the announcement of Aurora, Frontier, and El Capitan, Intel and AMD have also entered the domain of providing GPUs for scientific computing. A consequence of the increased diversity in the GPU landscape is the emergence of portable programming models such as Kokkos, SYCL, OpenCL, and OpenMP, which allow application developers to maintain a single-source code across a diverse range of hardware architectures. While the portable frameworks try to optimize the compute resource usage on a given architecture, it is the programmers responsibility to expose parallelism in an application that can take advantage of thousands of processing elements available on GPUs. In this paper, we introduce a GPU-friendly parallel implementation of Milc-Dslash that exposes multiple hierarchies of parallelism in the algorithm. Milc-Dslash was designed to serve as a benchmark with highly optimized matrix-vector multiplications to measure the resource utilization on the GPU systems. The parallel hierarchies in the Milc-Dslash algorithm are mapped onto a target hardware using Kokkos and SYCL programming models. We present the performance achieved by Kokkos and SYCL implementations of Milc-Dslash on NVIDIA A100 GPU, AMD MI100 GPU, and Intel Gen9 GPU. Additionally, we compare the Kokkos and SYCL performances with those obtained from the versions written in CUDA and HIP programming models on NVIDIA A100 GPU and AMD MI100 GPU, respectively.

Dufek, Amanda S↗

Comparison study of gear dynamic computer programs at NASA Lewis Research Center

A comparison study was performed on four gear dynamic analysis computer programs developed under NASA/Army sponsorship. These programs are GRDYNMULT (a multimesh program applicable to a number of epicyclic systems), TELSGE (a single mesh program), PGT (a multimesh program applicable to a planetary system with three planets), and DANST (a single mesh program). The capabilities and features, input and output options, and technical aspects of the programs were reviewed and compared. Results are presented in a concise tabular form. Parametric studies of the program models were performed to investigate the predicted results of the programs as input parameters such as speed, torque, and mesh damping were varied. In general, the program models predicted similar dynamic load and stress levels as operating conditions were varied. Flash temperature predictions from programs GRDYNMULT and TELSGE indicated similar trends; however, actual values were not in close agreement. The program GRDYNMULT was found to be the most versatile in system size, type, and analysis capabilities. The programs DANST, TELSGE, and PGT are more specialized for specific systems; however, in specific areas they provide a more detailed treatment than GRDYNMULT.

Zakrajsek, James J.↗

The Rodinia Benchmark Suite in SYCL

As opposed to the Open Computing Language (OpenCL) programming model in which host and device codes are generally written in different programming languages, SYCL can combine host and device codes for an application in a type-safe way to improve development productivity and performance portability. Rodinia is a widely used benchmark suite for heterogeneous computing. Hence, we port the OpenCL implementations of the benchmark suite to SYCL manually. The SYCL benchmark suite is an opensource project for tracking the development of the mainstream SYCL compilers, and for developers and researchers interested in programming productivity, performance analysis, and portability across different computing platforms. We organize the remainder of the report as follows. Section II introduces the SYCL programming model, shows the major differences between an OpenCL program and a SYCL program, and gives a summary of the benchmark suite. In Section III, we describe our SYCL implementations in more details. We evaluate the SYCL benchmarks on the Intel® central processing units (CPUs) and graphics processing units (GPUs) in Section IV. Section V concludes the report.

97 MATHEMATICS AND COMPUTING↗

Unified Memory: GPGPU-Sim/UVM Smart Integration

CPU/GPU heterogeneous compute platforms are an ubiquitous element in computing and a programming model specified for this heterogeneous computing model is important for both performance and programmability. A programming model that exposes the shared, unified, address space between the heterogeneous units is a necessary step in this direction as it removes the burden of explicit data movement from the programmer while maintaining performance. GPU vendors, such as AMD and NVIDIA, have released software-managed runtimes that can provide programmers the illusion of unified CPU and GPU memory by automatically migrating data in and out of the GPU memory. However, this runtime support is not included in GPGPU-Sim, a commonly used framework that models the features of a modern graphics processor that are relevant to non-graphics applications. UVM Smart was developed, which extended GPGPU-Sim 3.x to in- corporate the modeling of on-demand pageing and data migration through the runtime. This report discusses the integration of UVM Smart and GPGPU-Sim 4.0 and the modifications to improve simulation performance and accuracy.

97 MATHEMATICS AND COMPUTING↗

PNNL DataHub NIAID Program Project: Modeling Host Responses to Understand Severe Human Virus Infections, Multi-Omic Viral Dataset Catalog Collection

The National Institute of Allergy and Infectious Diseases (NIAID) "Modeling Host Responses to Understand Severe Human Virus Infections" program project was a highly integrated and comprehensive systems biology research core, funded by the National Institute of Health (U19AI106772) from 2013-06-01 to 2018-05-31, investigating the complex host response to category A, B, and C priority pathogen infections. Resulting project deliverables include an extensive comprehensive collections of linked primary and secondary transformation viral experimental infection data. Here we provide a never before released comprehensive infectious disease collection of primary and secondary transformation multi-Omics data profiling a series of priority pathogen primary experimental studies for enhanced open access to viral Omics lifecycle datasets and project metadata. Using a highly integrated and multidisciplinary approach, linked primary data and metadata supporting secondary normalization datasets, provide critical information necessary for research reproducibility and long-term preservation. Enabling on-demand data access for research community consumption and developer reuse, serves to support new mechanistic insights and discoveries into host-pathogen interactions for aiding future biohazard data preparedness efforts in emergency response to global health crises involving viral infection.

59 BASIC BIOLOGICAL SCIENCES↗

Improving the Performance of Medical Imaging Applications using SYCL

In this report, we are interested in applying the SYCL programming model to medical imaging applications for a study on performance portability and programming productivity. The SYCL standard specifies a cross-platform abstraction layer that enables programming of heterogeneous computing systems using standard C++. As opposed to the Open Computing Language (OpenCL) programming model, in which host and device code are generally written in different programming languages [1], SYCL can combine host and device code for an application in a type-safe way to improve development productivity and performance portability.

97 MATHEMATICS AND COMPUTING↗

A convertor and user interface to import CAD files into worldtoolkit virtual reality systems

Virtual Reality (VR) is a rapidly developing human-to-computer interface technology. VR can be considered as a three-dimensional computer-generated Virtual World (VW) which can sense particular aspects of a user's behavior, allow the user to manipulate the objects interactively, and render the VW at real-time accordingly. The user is totally immersed in the virtual world and feel the sense of transforming into that VW. NASA/MSFC Computer Application Virtual Environments (CAVE) has been developing the space-related VR applications since 1990. The VR systems in CAVE lab are based on VPL RB2 system which consists of a VPL RB2 control tower, an LX eyephone, an Isotrak polhemus sensor, two Fastrak polhemus sensors, a folk of Bird sensor, and two VPL DG2 DataGloves. A dynamics animator called Body Electric from VPL is used as the control system to interface with all the input/output devices and to provide the network communications as well as VR programming environment. The RB2 Swivel 3D is used as the modelling program to construct the VW's. A severe limitation of the VPL VR system is the use of RB2 Swivel 3D, which restricts the files to a maximum of 1020 objects and doesn't have the advanced graphics texture mapping. The other limitation is that the VPL VR system is a turn-key system which does not provide the flexibility for user to add new sensors and C language interface. Recently, NASA/MSFC CAVE lab provides VR systems built on Sense8 WorldToolKit (WTK) which is a C library for creating VR development environments. WTK provides device drivers for most of the sensors and eyephones available on the VR market. WTK accepts several CAD file formats, such as Sense8 Neutral File Format, AutoCAD DXF and 3D Studio file format, Wave Front OBJ file format, VideoScape GEO file format, Intergraph EMS stereolithographics and CATIA Stereolithographics STL file formats. WTK functions are object-oriented in their naming convention, are grouped into classes, and provide easy C language interface. Using a CAD or modelling program to build a VW for WTK VR applications, we typically construct the stationary universe with all the geometric objects except the dynamic objects, and create each dynamic object in an individual file.

Wang, Peter Hor-Ching↗

Implementing Ordinary Differential Equation Solvers in Rust Programming Language for Modeling Vehicle Powertrain Systems: Preprint

Efficient and accurate ordinary differential equation (ODE) solvers are necessary for powertrain and vehicle dynamics modeling. However, current commercial ODE solvers can be financially prohibitive, leading to a need for accessible, effective, open-source ODE solvers designed for powertrain modeling. Rust is a compiled programming language that has the potential to be used for fast and easy-to-use powertrain models, given its exceptional computational performance, robust package ecosystem, and short time required for modelers to become proficient. However, of the three commonly used (>3,000 downloads) packages in Rust with ODE solver capabilities, only one has more than four numerical methods implemented, and none are designed specifically for modeling physical systems. Therefore, the goal of the Differential Equation System Solver (DESS) was to implement accurate ODE solvers in Rust designed for the component-based problems often seen in powertrain modeling. DESS is a text-based software package that provides a flexible framework for building and solving systems of ODEs. This allows DESS to be included as a dependency for automotive powertrain models that require a variety of solvers and solver configurations. Seven explicit ODE solver methods have been implemented in DESS: Euler’s, Heun’s, midpoint, Ralston’s, classic Runge-Kutta, Bogacki-Shampine, and Cash-Karp. These represent five fixed-step methods and two adaptive-step methods. This paper shows that the solver implementations increase accuracy and computational efficiency compared to Euler's method when modeling a system of three thermal masses in Rust. DESS also includes features designed for modeling component-based physical systems. Users can define relationships between nodes in their system, which the package then translates into a system of equations, leading to simpler and more intuitive code. In the case of a three-thermal-mass system, the user can specify node thermal properties (e.g., thermal capacitance), how nodes are interconnected, and thermal conductance between nodes rather than providing a system of equations. The core contribution from this work is an open-source, text-based Rust package with ODE solvers for automotive powertrain modeling to support cost-free, fast, and accurate simulation.

ADVANCED PROPULSION SYSTEMS↗

Path Planning: Differential Dynamic Programming and Model Predictive Path Integral Control on VTOL Aircraft

This paper explores two optimal control approaches, widely used in robotics, to establish their viability as real-time trajectory planners for vehicle configurations envisioned for the emerging aviation sector of Urban Air Mobility (UAM). Differential Dynamic Programming (DDP) enables planning over highly nonlinear dynamics using second-order approximations along a nominal trajectory, and displays quadratic convergence to a local solution. Model Predictive Path Integral (MPPI) is a stochastic sampling-based algorithm that can optimize for general cost criteria, including potentially highly nonlinear formulations, and supports parallel computation through the use of modern GPU hardware. In this work, DDP and MPPI were implemented using model predictive control (MPC), and the results indicate they are able to successfully transition the aircraft over different flight envelopes and generate trajectories unique to UAM vehicles.

Differential Dynamic Programming↗

Final Report from The University of Texas at Austin for DEGAS: Dynamic Global Address Space programming environments

The Dynamic, Exascale Global Address Space programming environment (DEGAS) project will develop the next generation of programming models and runtime systems to meet the challenges of Exascale computing. Our approach is to provide an efficient and scalable programming model that can be adapted to application needs through the use of dynamic runtime features and domain-specific languages for computational kernels. We address the following technical challenges: Programmability: Rich set of programming constructs based on a Hierarchical Partitioned Global Address Space (HPGAS) model, demonstrated in UPC++. Scalability: Hierarchical locality control, lightweight communication (extended GASNet), and ef- ficient synchronization mechanisms (Phasers). Performance Portability: Just-in-time specialization (SEJITS) for generating hardware-specific code and scheduling libraries for domain-specific adaptive runtimes (Habanero). Energy Efficiency: Communication-optimal code generation to optimize energy efficiency by re- ducing data movement. Resilience: Containment Domains for flexible, domain-specific resilience, using state capture mechanisms and lightweight, asynchronous recovery mechanisms. Interoperability: Runtime and language interoperability with MPI and OpenMP to encourage broad adoption.

97 MATHEMATICS AND COMPUTING↗

MPI + OpenACC: Accelerating radiation transport mini-application, minisweep, on heterogeneous systems

According to the article, architectures are rapidly evolving, and exascale machines are expected to offer billion-way concurrency. We need to rethink algorithms, languages and programming models among other components in order to migrate large scale applications and explore parallelism on these machines. Although directive-based programming models allow programmers to worry less about programming and more about science, expressing complex parallel patterns in these models can be a daunting task especially when the goal is to match the performance that the hardware platforms can offer. One such pattern is wavefront. This paper extensively studies a wavefront-based miniapplication for Denovo, a production code for nuclear reactor modeling. We parallelize the Koch–Baker–Alcouffe (KBA) parallel-wavefront sweep algorithm in the main kernel of Minisweep (the miniapplication) using CUDA 9.0, OpenMP 4.0 (SIMD) and OpenACC 2.6. Our OpenACC implementation running on NVIDIA’s next-generation Volta GPU boasts an 85.06x speedup over serial code, which is larger than CUDA’s 83.72x speedup over the same serial implementation. We also explore the scalability of our solution using MPI to decompose our simulation domain, allowing us to run on many nodes and accelerators present in state-of-the-art HPC systems. Our parallelization effort across platforms also motivated us to define an abstract parallelism model that is architecture independent, with a goal of creating software abstractions that can be used by applications employing the wavefront sweep motif.

Computer Science↗

Abstractions and Directives for Adapting Wavefront Algorithms to Future Architectures

Architectures are rapidly evolving, and exascale machines are expected to offer billion-way concurrency. We need to rethink algorithms, languages and programming models among other components in order to migrate large scale applications and explore parallelism on these machines. Although directive-based programming models allow programmers to worry less about programming and more about science, expressing complex parallel patterns in these models can be a daunting task especially when the goal is to match the performance that the hardware platforms can offer. One such pattern is wavefront. This paper extensively studies a wavefront-based miniapplication for Denovo, a production code for nuclear reactor modeling. We parallelize the Koch-Baker-Alcouffe (KBA) parallel-wavefront sweep algorithm in the main kernel of Minisweep (the miniapplication) using CUDA, OpenMP and OpenACC. Our OpenACC implementation running on NVIDIA's next-generation Volta GPU boasts an 85.06x speedup over serial code, which is larger than CUDA's 83.72x speedup over the same serial implementation. Our experimental platform includes SummitDev, an ORNL representative architecture of the upcoming Summit supercomputer. Our parallelization effort across platforms also motivated us to define an abstract parallelism model that is architecture independent, with a goal of creating software abstractions that can be used by applications employing the wavefront sweep motif.

Searles, Robert↗

A new portable random number generator wrapper library

Random number generator is an important component of many scientific projects. Many projects are written using programming models (like OpenMP and SYCL) to target different architectures. However, some programming models do not provide a random number generator. In this work, we introduce our random number generator wrapper. It is a header-only library that supports three distributions of random numbers: uniform, normal, and poisson. On the GPU backend, it wraps the cuRAND and rocRAND library, and supports various random number engines. It also wraps random123, a counterbased random number generator, on both CPU and GPU. With this library, we can generate random numbers with a few lines of code and target both GPU and multi-thread CPU with the same code. We also investigate the performance and scalability of this wrapper on different architectures with different engines and the number of cores.

97 MATHEMATICS AND COMPUTING↗

Sunspot: A program to model the behavior of hypervelocity impact damaged multilayer insulation in the Sunspot thermal vacuum chamber of Marshall Space Flight Center

The development of a computer program to predict the degradation of the insulating capabilities of the multilayer insulation (MLI) blanket of Space Station Freedom due to a hypervelocity impact with a space debris particle is described. A finite difference scheme is used for the calculations. The computer program was written in Microsoft BASIC. Also described is a test program that was undertaken to validate the numerical model. Twelve MLI specimens were impacted at hypervelocities with simulated debris particles using a light gas gun at Marshall Space Flight Center. The impact-damaged MLI specimens were then tested for insulating capability in the space environment of the Sunspot thermal vacuum chamber at MSFC. Two undamaged MLI specimens were also tested for comparison with the test results of the damaged specimens. The numerical model was found to adequately predict behavior of the MLI specimens in the Sunspot chamber. A parameter, called diameter ratio, was developed to relate the nominal MLI impact damage to the apparent (for thermal analysis purposes) impact damage based on the hypervelocity impact conditions of a specimen.

Rule, W. K.↗