Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “SUPERCOMPUTING”

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

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

At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Learning to Scale the Summit: AI for Science on a Leadership Supercomputer

The Summit system at Oak Ridge National Lab-oratory (ORNL) has been the world's top AI for science su-percomputer for several years, ranked world's fastest computer at its 2018 launch and currently top system in the US and #2 on the TOP5OO list. Summit's purposeful design to handle both conventional modeling and simulation science and emerging AI workloads has made it a leading destination for AI-powered computational science. We report here on AI for science usage on Summit near the midpoint of its lifespan. We review AI usage across the many science projects that have used Summit. We then examine in detail a set of applications scaling AI to full system as well as projects implementing AI-coordinated science discovery workflows on Summit. Finally, we offer some observations regarding the future of advancing scientific knowledge and understanding via AI, especially in the context of leadership-class scientific computing.

Joubert, Wayne↗
DOE OSTI2024

A Perspective on Scalable AI on High-Performance Computing and Leadership Class Supercomputing Facilities [Industrial and Governmental Activities]

Many scientific applications that support the mission of the US Department of Energy (US-DoE) require modeling complex engineering and/or physical systems. Here, examples of such complex systems arise from: (a) materials science to develop new compounds with exceptional mechanical and thermodynamical properties (e.g., resistance to mechanical stresses and high temperatures), (b) structural and nuclear engineering to model the temporal evolution of the structural damage of concrete shields exposed to continuous neutron and gamma radiations emitted by the nuclear reactor core, (c) urban sciences (e.g., transportation and smart buildings), and (d) power grid systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Processing Full-Scale Square Kilometre Array Data on the Summit Supercomputer

This work presents a workflow for simulating and processing the full-scale low-frequency telescope data of the Square Kilometre Array (SKA) Phase 1. The SKA project will enter the construction phase soon, and once completed, it will be the world’s largest radio telescope and one of the world’s largest data generators. The authors used Summit to mimic an endto-end SKA workflow, simulating a dataset of a typical 6 hour observation and then processing that dataset with an imaging pipeline. This workflow was deployed and run on 4,560 compute nodes, and used 27,360 GPUs to generate 2.6 PB of data. This was the first time that radio astronomical data were processed at this scale. Results show that the workflow has the capability to process one of the key SKA science cases, an Epoch of Reionization observation. This analysis also helps reveal critical design factors for the next-generation radio telescopes and the required dedicated processing facilities.

Wang, Ruonan↗
DOE OSTI2013

HykSort: a new variant of hypercube quicksort on distributed memory architectures. In: ICS '13 Proceedings of the 27th international ACM conference on International conference on supercomputing

In this paper, we present HykSort, an optimized comparison sort for distributed memory architectures that attains more than 2× improvement over bitonic sort and samplesort. The algorithm is based on the hypercube quicksort, but instead of a binary recursion, we perform a k-way recursion in which the pivots are selected accurately with an iterative parallel select algorithm. The single-node sort is performed using a vectorized and multithreaded merge sort. The advantages of HykSort are lower communication costs, better load balancing, and avoidance of O(p)-collective communication primitives. We also present a staged communication samplesort, which is more robust than the original samplesort for large core counts. We conduct an experimental study in which we compare hypercube sort, bitonic sort, the original samplesort, the staged samplesort, and HykSort. We report weak and strong scaling results and study the effect of the grain size. It turns out that no single algorithm performs best and a hybridization strategy is necessary. As a highlight of our study, on our largest experiment on 262,144 AMD cores of the CRAY XK7 "Titan" platform at the Oak Ridge National Laboratory we sorted 8 trillion 32-bit integer keys in 37 seconds achieving 0.9TB/s effective throughput.

Sundar, Hari↗
DOE OSTI2013

Investigating applications portability with the Uintah DAG-based runtime system on PetaScale supercomputers

Present trends in high performance computing present formidable challenges for applications code using multicore nodes possibly with accelerators and/or co-processors and reduced memory while still attaining scalability. Software frameworks that execute machine-independent applications code using a runtime system that shields users from architectural complexities offer a possible solution. The Uintah framework for example, solves a broad class of large-scale problems on structured adaptive grids using fluid-flow solvers coupled with particle-based solids methods. Uintah executes directed acyclic graphs of computational tasks with a scalable asynchronous and dynamic runtime system for CPU cores and/or accelerators/co-processors on a node. Uintah's clear separation between application and runtime code has led to scalability increases of 1000x without significant changes to application code. This methodology is tested on three leading Top500 machines; OLCF Titan, TACC Stampede and ALCF Mira using three diverse and challenging applications problems. This investigation of scalability with regard to the different processors and communications performance leads to the overall conclusion that the adaptive DAG-based approach provides a very powerful abstraction for solving challenging multi-scale multi-physics engineering problems on some of the largest and most powerful computers available today.

Meng, Qingyu↗
DOE OSTI2013

Feng shui of supercomputer memory: positional effects in DRAM and SRAM faults. In: SC '13 Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis

Several recent publications confirm that faults are common in high-performance computing systems. Therefore, further attention to the faults experienced by such computing systems is warranted. In this paper, we present a study of DRAM and SRAM faults in large high-performance computing systems. Our goal is to understand the factors that influence faults in production settings. We examine the impact of aging on DRAM, finding a marked shift from permanent to transient faults in the first two years of DRAM lifetime. We examine the impact of DRAM vendor, finding that fault rates vary by more than 4x among vendors. We examine the physical location of faults in a DRAM device and in a data center; contrary to prior studies, we find no correlations with either. Finally, we study the impact of altitude and rack placement on SRAM faults, finding that, as expected, altitude has a substantial impact on SRAM faults, and that top of rack placement correlates with 20% higher fault rate.

Sridharan, Vilas↗
DOE OSTI2013

Effective sampling-driven performance tools for GPU-accelerated supercomputers, In: SC '13 Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis

Performance analysis of GPU-accelerated systems requires a system-wide view that considers both CPU and GPU components. In this paper, we describe how to extend system-wide, sampling-based performance analysis methods to GPU-accelerated systems. Since current GPUs do not support sampling, our implementation required careful coordination of instrumentation-based performance data collection on GPUs with sampling-based methods employed on CPUs. In addition, we also introduce a novel technique for analyzing systemic idleness in CPU/GPU systems. We demonstrate the effectiveness of our techniques with application case studies on Titan and Keeneland. Some of the highlights of our case studies are: 1) we improved performance for LULESH 1.0 by 30%, 2) we identified a hardware performance problem on Keeneland, 3) we identified a scaling problem in LAMMPS derived from CUDA initialization, and 4) we identified a performance problem that is caused by GPU synchronization operations that suffer delays due to blocking system calls.

Computer Science↗
DOE OSTI2015

Pushing back the limit of ab-initio quantum transport simulations on hybrid supercomputers, In: SC '15 Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis

The capabilities of CP2K, a density-functional theory package and OMEN, a nano-device simulator, are combined to study transport phenomena from first-principles in unprecedentedly large nanostructures. Based on the Hamiltonian and overlap matrices generated by CP2K for a given system, OMEN solves the Schrödinger equation with open boundary conditions (OBCs) for all possible electron momenta and energies. To accelerate this core operation a robust algorithm called SplitSolve has been developed. It allows to simultaneously treat the OBCs on CPUs and the Schrödinger equation on GPUs, taking advantage of hybrid nodes. Our key achievements on the Cray-XK7 Titan are (i) a reduction in time-to-solution by more than one order of magnitude as compared to standard methods, enabling the simulation of structures with more than 50000 atoms, (ii) a parallel efficiency of 97% when scaling from 756 up to 18564 nodes, and (iii) a sustained performance of 15 DP-PFlop/s.

Computer Science↗
DOE OSTI2017

UNITY: Unified Memory and File Space. In: ROSS '17 Proceedings of the 7th International Workshop on Runtime and Operating Systems for Supercomputers ROSS 2017, Article No. 6

This paper describes the vision for UNITY, a new high-performance computing focused data storage abstraction that places the entire memory hierarchy, including both traditionally separated memory-and file-based data storage, into one storage continuum. Through the use of a novel API and a set of services centered around a smart runtime system, UNITY is able to provide a number of valuable and interesting benefits. The unified storage space provides a scalable and resilient data environment that dynamically manages the mapping of data onto available resources based on multiple factors, including desired persistence and energy budget considerations. By eliminating the need for high-performance computing domain scientists to develop architecture-dependent optimizations for rapidly evolving data storage technologies, UNITY addresses both ease-of-use and performance.

Jones, Terry↗
DOE OSTI2021

Revealing power, energy and thermal dynamics of a 200PF pre-exascale supercomputer

As we approach the exascale computing era, the focused understanding of power consumption and its overall constraint on HPC architectures and applications are becoming increasingly paramount. Summit, located at the Oak Ridge Leadership Computing Facility (OLCF), is one of the fastest and largest pre-exascale platforms in operation today. This paper provides a first-order examination and analysis of power consumption at the component-level, node-level, and system-level, from all 4,626 Summit compute nodes, each with over 100 metrics at 1Hz frequency over the entire year of 2020. We also investigate the power characteristics and energy efficiency of over 840k Summit jobs and 250k GPU failure logs for further operational insights. To the best of our knowledge, this is the first systematic analysis of power data of HPC system at this scale.

Shin, Woong↗
DOE OSTI2025

Advancing Quantum Many-Body GW Calculations on Exascale Supercomputing Platforms

Advanced ab initio materials simulations face growing challenges as increasing systems and phenomena complexity requires higher accuracy, driving up computational demands. Quantum many-body GW methods are state-of-the-art for treating electronic excited states and couplings but often hindered due to the costly numerical complexity. Here, we present innovative implementations of advanced GW methods within the BerkeleyGW package, enabling large-scale simulations on Frontier and Aurora exascale platforms. Our approach demonstrates exceptional versatility for complex heterogeneous systems with up to 17,574 atoms, along with achieving true performance portability across GPU architectures. We demonstrate excellent strong and weak scaling to thousands of nodes, reaching double-precision core-kernel performance of 1.069 ExaFLOP/s on Frontier (9,408 nodes) and 707.52 PetaFLOP/s on Aurora (9,600 nodes), corresponding to 59.45% and 48.79% of peak, respectively. Our work demonstrates a breakthrough in utilizing exascale computing for quantum materials simulations, delivering unprecedented predictive capabilities for rational designs of future quantum technologies.

Zhang, Benran [University of Southern California, ↗
DOE OSTI2016

DragonView: Toward Understanding Network Interference in Dragonfly-based Supercomputers

Acquiring and maintaining high performance computing systems represents a substantial, long term investment. Therefore, it is paramount to optimize their utilization in order to maximize the return on investment and the impact on science and engineering. In this context, network congestion and inter-job interference are a major challenge as they can lead to significant systemwide performance degregation. This is especially pertinent in shared interconnects such as the dragonfly network, in which resources are shared by multiple jobs. Since many large-scale applications are communication-bound, a few communication heavy applications can have a large impact on the performance of all jobs and decrease the overall system throughput. In this paper, we describe a web-based visual analytics environment to study congestion and inter-job interference on dragonfly networks. The system enables network architects, system administrators and application developers to explore the potential impact of machine configuration, job placement policies and routing algorithms by visualizing and comparing ensembles of simulated workloads and real world data. We focus on the design of the system and describe the challenges, design decisions and the final implementation. Finally, we present two detailed case studies of prototypical analysis sessions by our stakeholders aimed at exploring the implications of different workloads and machine configurations using ensembles of network simulations.

97 MATHEMATICS AND COMPUTING↗