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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Portable Acceleration of CMS Computing Workflows with Coprocessors as a Service

Computing demands for large scientific experiments, such as the CMS experiment at the CERN LHC, will increase dramatically in the next decades. To complement the future performance increases of software running on central processing units (CPUs), explorations of coprocessor usage in data processing hold great potential and interest. Coprocessors are a class of computer processors that supplement CPUs, often improving the execution of certain functions due to architectural design choices. We explore the approach of Services for Optimized Network Inference on Coprocessors (SONIC) and study the deployment of this as-a-service approach in large-scale data processing. In the studies, we take a data processing workflow of the CMS experiment and run the main workflow on CPUs, while offloading several machine learning (ML) inference tasks onto either remote or local coprocessors, specifically graphics processing units (GPUs). With experiments performed at Google Cloud, the Purdue Tier-2 computing center, and combinations of the two, we demonstrate the acceleration of these ML algorithms individually on coprocessors and the corresponding throughput improvement for the entire workflow. This approach can be easily generalized to different types of coprocessors and deployed on local CPUs without decreasing the throughput performance. We emphasize that the SONIC approach enables high coprocessor usage and enables the portability to run workflows on different types of coprocessors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

GenASiS Basics: Object-oriented utilitarian functionality for large-scale physics simulations (Version 4)

GenASiS Basics provides modern Fortran classes furnishing extensible object-oriented utilitarian functionality for large-scale physics simulations on distributed memory supercomputers. This functionality includes physical units and constants; display to the screen or standard output device; message passing; I/O to disk; and runtime parameter management and usage statistics. Herein, this revision—Version 4 of Basics—includes a name change and additions to functionality, including the facilitation of direct communication between GPUs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Accelerating detector simulations with Celeritas: Profiling and performance optimizations

Celeritas is a GPU-optimized Monte Carlo (MC) particle transport code designed to meet the growing computational demands of next-generation high energy physics (HEP) experiments. It provides efficient simulation of electromagnetic (EM) physics processes in complex geometries with magnetic fields, detector hit scoring, and seamless integration into Geant4-driven applications to offload EM physics to GPUs. Recent efforts have focused on performance optimizations and expanding profiling capabilities. This paper presents some key advancements, including the integration of the Perfetto system profiling tool for detailed performance analysis and the development of track-sorting methods to improve computational efficiency.

Lund, Amanda [Argonne National Laboratory (ANL)]↗
DOE OSTI2020

Understanding the use of message passing interface in exascale proxy applications

The Exascale Computing Project (ECP) focuses on the development of future exascale-capable applications. Most ECP applications use the message passing interface (MPI) as their parallel programming model with mini-apps serving as proxies. This paper explores the explicit usage of MPI in such ECP proxy applications. We empirically analyze 14 proxy applications from the ECP Proxy Apps Suite. We use the MPI profiling interface (PMPI) to collect MPI usage patterns in ECP proxy apps. Our analysis shows that a small subset of features from MPI is commonly used in the proxies of exascale-capable applications, even when they reference third-party libraries. Overall, this study is intended to provide a better understanding of the use of MPI in current exascale applications. The findings can help focus software investments made for exascale systems in the MPI middleware including optimization, fault-tolerance, tuning, and hardware-offload.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Supporting multiple hardware architectures at CMS: the integration and validation of POWER9

Computing resources in the Worldwide LHC Computing Grid (WLCG) have been based entirely on the x86 architecture for more than two decades. In the near future, however, heterogeneous non-x86 resources, such as ARM, POWER and Risc-V, will become a substantial fraction of the resources that will be provided to the LHC experiments, due to their presence in existing and planned world-class HPC installations. The CMS experiment, one of the four large detectors at the LHC, has started to prepare for this situation, with the CMS software stack (CMSSW) already compiled for multiple architectures. In order to allow for a production use, the tools for workload management and job distribution need to be extended to be able to exploit heterogeneous architectures. Profiting from the opportunity to exploit the first sizable IBM Power9 allocation available on Marconi100 HPC system at CINECA, CMS developed all the needed modifications to the CMS workload management system. After a successful proof of concept, a full physics validation has been performed in order to bring the system in production. The experiences are of very high value, when it comes to commissioning of the similar (even larger) Summit HPC system at Oak Ridge, where CMS is also expecting a resource allocation. Moreover the compute power of those systems is being provided also via GPUs and this represents an extremely valuable opportunity to exploit the offloading capability already implemented in CMSSW. The status of the current integration including the exploitation of the GPUs, the results of the validation as well as the future plans will be shown and discussed.

Boccali, Tommaso [INFN, Pisa]↗
DOE OSTI2023

Integrating Artificial Intelligence into Science Gateways

Science gateways are altering the manner in which people interact with high performance computing (HPC) by providing a web browser based interface to advanced computing platforms. In particular, science gateways lower the barrier to using HPC by simplifying the process of submitting workloads to such systems and by offloading the efforts required to use HPC to the maintainers of the system. While science gateways decrease the time-to-science that comes with using such advanced systems, progress can still be made in improving the user's experience. In this paper we explore two strategies for integrating artificial intelligence tools commonly found in non-HPC service workflows: voice activated assistants and chatbots. Since August 2021, the HPC group at Idaho National Laboratory answers an average of 581 support tickets per month of which a large percentage could be addressed via these two strategies. This work defines the key capabilities that an HPC voice activated assistant and chatbot would need to address for a userbase consisting of largely non-expert users as well as a design for integration into the Open OnDemand science gateway.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Investigating Scientific Workload Acceleration using BlueField SmartNICs [Slides]

Modern computing platforms whose workloads generate large amounts of network traffic, such as cloud and HPC systems, often suffer from performance bottlenecks associated with the network interface. In order to alleviate the effects of this obstacle, a new generation of accelerators known as ‘SmartNICs’, which are designed to offload low level networking tasks from the processor into the NIC, have emerged.

42 ENGINEERING↗
DOE OSTI2024

Assessment of Cloud-based Applications for Enabling a Scalable Riskinformed Predictive Maintenance Strategy

The current light-water reactor fleet uses time-based maintenance strategies to achieve high-capacity factors. But to make nuclear more competitive in the energy market, these reactors could utilize emerging artificial intelligence (AI) and cloud computing technologies to achieve a cost-effective, predictive-maintenance strategy. This paper presents discussion and results on the application of cloud computing in the nuclear industry. The technical viability of cloud computing was analyzed using data from a boiling-water reactor’s safety relief valve. The models were hosted on three different systems: a local personal computer, Idaho National Laboratory’s high-performance computer system, and Microsoft Azure. The data were loaded and processed, and two types of models were trained in an A/B fashion. Based on the speed at which these actions were completed, it was determined that cloud computing affords adequate computing resources. Additionally, the computing power can scale with the demanded load. To enable cloud computing in the existing fleet, additional sensors, networks, and other requirements must be implemented to ensure a smooth transition from current maintenance strategies. However, the benefit is that the plants no longer need to manage their own servers, software, cybersecurity, and information technology support staff for in-house data analytics purpose. Many of these features can be offloaded to the cloud provider for a potential cost savings. Demonstrating how AI can improve the maintenance and operation of non-safety-related systems seems the likely path forward for implementing AI and cloud computing resources inside nuclear power plants.

azure↗
DOE OSTI2020

Scalable All-pairs Shortest Paths for Huge Graphs on Multi-GPU Clusters

We present an optimized Floyd-Warshall (Floyd-Warshall) algorithm that computes the All-pairs shortest path (APSP) for GPU accelerated clusters. The Floyd-Warshall algorithm due to its structural similarities to matrix-multiplication is well suited for highly parallel GPU architectures. To achieve high parallel efficiency, we address two key algorithmic challenges: reducing high communication overhead and addressing limited GPU memory. To reduce high communication costs, we redesign the parallel (a) to expose more parallelism, (b) aggressively overlap communication and computation with pipelined and asynchronous scheduling of operations, and (c) tailored MPI-collective. To cope with limited GPU memory, we employ an offload model, where the data resides on the host and is transferred to GPU on-demand. The proposed optimizations are supported with detailed performance models for tuning. Our optimized parallel Floyd-Warshall implementation is up to 5x faster than a strong baseline and achieves 8.1 PetaFLOPS/sec on 256~nodes of the Summit supercomputer at Oak Ridge National Laboratory. This performance represents 70% of the theoretical peak and 80% parallel efficiency. The offload algorithm can handle 2.5x larger graphs with a 20% increase in overall running time.

Sao, Piyush↗
DOE OSTI2021

Outcomes of OpenMP Hackathon: OpenMP Application Experiences with the Offloading Model (Part I)

This paper reports on experiences gained and practices adopted when using the latest features of OpenMP to port a variety of HPC applications and mini-apps based on different computational motifs (BerkeleyGW, WDMApp/XGC, GAMESS, GESTS, and GridMini) to accelerator-based, leadership-class, high-performance supercomputer systems at the Department of Energy. As recent enhancements to OpenMP become available in implementations, there is a need to share the results of experimentation with them in order to better understand their behavior in practice, to identify pitfalls, and to learn how they can be effectively deployed in scientific codes. Additionally, we identify best practices from these experiences that we can share with the rest of the OpenMP community.

Chapman, Barbara↗
DOE OSTI2021

Outcomes of OpenMP Hackathon: OpenMP Application Experiences with the Offloading Model (Part II)

This paper reports on experiences gained and practices adopted when using the latest features of OpenMP to port a variety of HPC applications and mini-apps based on different computational motifs (BerkeleyGW, WDMApp/XGC, GAMESS, GESTS, and GridMini) to accelerator-based, leadership-class, high-performance supercomputer systems at the Department of Energy. As recent enhancements to OpenMP become available in implementations, there is a need to share the results of experimentation with them in order to better understand their behavior in practice, to identify pitfalls, and to learn how they can be effectively deployed in scientific codes. Additionally, we identify best practices from these experiences that we can share with the rest of the OpenMP community.

Chapman, Barbara↗
DOE OSTI2024

Porting ATLAS Fast Calorimeter Simulation to GPUs with Performance Portable Programming Models

FastCaloSim is a parameterized simulation of the particle energy response and of the energy distribution in the ATLAS calorimeter. It is a relatively small and self-contained package with massive inherent parallelism and captures the essence of GPU offloading via important operations like data transfer, memory initialization, floating point operations, and reduction. It was identified by the High Energy Physics Center for Computational Excellence project as a good testbed for evaluating the performance and ease of portability of programming models. In this paper, we will discuss the results of our evaluation of the porting process to Kokkos, SYCL, Alpaka, OpenMP and std::par (nvc++), and compare performance on NVIDIA, AMD and Intel GPUs, as well as multicore CPUs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Evaluating Performance Portability with the CMS Heterogeneous Pixel Reconstruction code

In the past years the landscape of tools for expressing parallel algorithms in a portable way across various compute accelerators has continued to evolve significantly. There are many technologies on the market that provide portability between CPU, GPUs from several vendors, and in some cases even FPGAs. These technologies include C++ libraries such as Alpaka and Kokkos, compiler directives such as OpenMP, the SYCL open specification that can be implemented as a library or in a compiler, and standard C++ where the compiler is solely responsible for the offloading. Given this developing landscape, users have to choose the technology that best fits their applications and constraints. For example, in the CMS experiment the experience so far in heterogeneous reconstruction algorithms suggests that the full application contains a large number of relatively short computational kernels and memory transfer operations. In this work we use a stand-alone version of the CMS heterogeneous pixel reconstruction code as a realistic use case of HEP reconstruction software that is capable of leveraging GPUs effectively. We summarize the experience of porting this code base from CUDA to Alpaka, Kokkos, SYCL, std::par, and OpenMP offloading. We compare the event processing throughput achieved by each version on NVIDIA and AMD GPUs as well as on a CPU, and compare those to what a native version of the code achieves on each platform.

Andriotis, Nikolaos↗
DOE OSTI2020

INTEGRATED WORKFLOW MANAGEMENT FOR PARTICLE ACCELERATOR SIMULATION

Supercomputing systems are used for a wide range of computationally demanding tasks in many fields of science and engineering. They play a key role in numerical simulation, in which mathematical models are computed in order to simulate the behavior of physical systems. Scientists and engineers that use supercomputers for numerical simulation often have their productivity limited by the need to manually organize and manage extremely large amounts of data that are often produced and consumed by the software programs run on these systems. Recognizing these limitations, Kitware Inc. (Clifton Park, NY) and SLAC National Accelerator Laboratory (Menlo Park, CA) are developing an advanced software platform that can reduce the cognitive overhead required by knowledge workers when using supercomputers for numerical simulation. Phase I of the project is complete and includes the development of new capabilities for organizing simulation project files, improvements to the user interface and overall usability, and deployment of a “middle tier” server to sit between user desktop machines and supercomputers to offload much of the data management workload. The project also developed prototype software for executing sequences of numerical simulations, and a prototype for migrating supercomputing software to cloud-based computing systems to provide a potential alternative to supercomputers with different logistical and price-to-performance tradeoffs.

Tourtellott, John↗
DOE OSTI2023

Evaluation of OpenAI Codex for HPC Parallel Programming Models Kernel Generation

We evaluate AI-assisted generative capabilities on fundamental numerical kernels in high-performance computing (HPC), including AXPY, GEMV, GEMM, SpMV, Jacobi Stencil, and CG. We test the generated kernel codes for a variety of language-supported programming models, including (1) C++ (e.g., OpenMP [including offload], OpenACC, Kokkos, SyCL, CUDA, and HIP), (2) Fortran (e.g., OpenMP [including offload] and OpenACC), (3) Python (e.g., numpy, Numba, cuPy, and pyCUDA), and (4) Julia (e.g., Threads, CUDA.jl, AMDGPU.jl, and KernelAbstractions.jl). We use the GitHub Copilot capabilities powered by the GPT-based OpenAI Codex available in Visual Studio Code as of April 2023 to generate a vast amount of implementations given simple + + prompt variants. To quantify and compare the results, we propose a proficiency metric around the initial 10 suggestions given for each prompt. Results suggest that the OpenAI Codex outputs for C++ correlate with the adoption and maturity of programming models. For example, OpenMP and CUDA score really high, whereas HIP is still lacking. We found that prompts from either a targeted language such as Fortran or the more general purpose Python can benefit from adding code keywords, while Julia prompts perform acceptably well for its mature programming models (e.g., Threads and CUDA.jl). We expect for these benchmarks to provide a point of reference for each programming model's community. Overall, understanding the convergence of large language models, AI, and HPC is crucial due to its rapidly evolving nature and how it is redefining human-computer interactions.

Godoy, William↗
DOE OSTI2022

Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?

High-throughput structure-based screening of drug-like molecules has become a common tool in biomedical research. Recently, acceleration with graphics processing units (GPUs) has provided a large performance boost for molecular docking programs. Both cloud and high-performance computing (HPC) resources have been used for large screens with molecular docking programs; while NVIDIA GPUs have dominated cloud and HPC resources, new vendors such as AMD and Intel are now entering the field, creating the problem of software portability across different GPUs. Ideally, software productivity could be maximized with portable programming models that are able to maintain high performance across architectures. While in many cases compiler directives have been used as an easy way to offload parallel regions of a CPU-based program to a GPU accelerator, they may also be an attractive programming model for providing portability across different GPU vendors, in which case the porting process may proceed in the reverse direction: from low-level, architecture-specific code to higher-level directive-based abstractions. MiniMDock is a new mini-application (miniapp) designed to capture the essential computational kernels found in molecular docking calculations, such as are used in phar-maceutical drug discovery efforts, in order to test different solutions for porting across GPU architectures. Here we extend MiniMDock to GPU offloading with OpenMP directives, and compare to performance of kernels using CUDA and HIP on NVIDIA and AMD GPUs, respectively, as well as across different compilers, exploring performance bottlenecks. We document this reverse-porting process, from highly optimized device code to a higher-level version using directives, compare code structure, and describe barriers that were overcome in this effort.

Thavappiragasam, Mathialakan↗