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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 415 records · Page 23

Algorithms for high-throughput disk-to-disk sorting, In: SC '13 Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis

In this paper, we present a new out-of-core sort algorithm, designed for problems that are too large to fit into the aggregate RAM available on modern supercomputers. We analyze the performance including the cost of IO and demonstrate the fastest (to the best of our knowledge) reported throughput using the canonical sortBenchmark on a general-purpose, production HPC resource running Lustre. By clever use of available storage and a formulation of asynchronous data transfer mechanisms, we are able to almost completely hide the computation (sorting) behind the IO latency. This latency hiding enables us to achieve comparable execution times, including the additional temporary IO required, between a large sort problem (5TB) run as a single, in-RAM sort and our out-of-core approach using 1/10th the amount of RAM. In our largest run, sorting 100TB of records using 1792 hosts, we achieved an end-to-end throughput of 1.24TB/min using our general-purpose sorter, improving on the current Daytona record holder by 65%.

Computer Science↗

Mr. Scan: extreme scale density-based clustering using a tree-based network of GPGPU nodes, In: SC '13 Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis

Density-based clustering algorithms are a widely-used class of data mining techniques that can find irregularly shaped clusters and cluster data without prior knowledge of the number of clusters it contains. DBSCAN is the most well-known density-based clustering algorithm. We introduce our version of DBSCAN, called Mr. Scan, which uses a hybrid parallel implementation that combines the MRNet tree-based distribution network with GPGPU-equipped nodes. Mr. Scan avoids the problems of existing implementations by effectively partitioning the point space and by optimizing DBSCAN's computation over dense data regions. We tested Mr. Scan on both a geolocated Twitter dataset and image data obtained from the Sloan Digital Sky Survey. At its largest scale, Mr. Scan clustered 6.5 billion points from the Twitter dataset on 8,192 GPU nodes on Cray Titan in 17.3 minutes. All other parallel DBSCAN implementations have only demonstrated the ability to cluster up to 100 million points.

Computer Science↗

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↗

Using cross-layer adaptations for dynamic data management in large scale coupled scientific workflows, In: SC '13 Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis

As system scales and application complexity grow, managing and processing simulation data has become a significant challenge. While recent approaches based on data staging and in-situ/in-transit data processing are promising, dynamic data volumes and distributions, such as those occurring in AMR-based simulations, make the efficient use of these techniques challenging. In this paper we propose cross-layer adaptations that address these challenges and respond at runtime to dynamic data management requirements. Specifically we explore (1) adaptations of the spatial resolution at which the data is processed, (2) dynamic placement and scheduling of data processing kernels, and (3) dynamic allocation of in-transit resources. We also exploit coordinated approaches that dynamically combine these adaptations at the different layers. We evaluate the performance of our adaptive cross-layer management approach on the Intrepid IBM-BlueGene/P and Titan Cray-XK7 systems using Chombo-based AMR applications, and demonstrate its effectiveness in improving overall time-to-solution and increasing resource efficiency.

Computer Science↗

20 petaflops simulation of proteins suspensions in crowding conditions, In: SC '13 Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis

We present performance results for the simulation of proteins suspensions in crowding conditions obtained with MUPHY, a computational platform for multi-scale simulations of real-life biofluidic problems. Previous versions of MUPHY have been used in the past for the simulation of blood flow through the human coronary arteries and DNA translocation across nanopores. The simulation exhibits excellent scalability up to 18, 000 K20X Nvidia GPUs and achieves almost 20 Petaflops of aggregate sustained performance with a peak performance of 27.5 Petaflops for the most intensive computing component. Those figures demonstrate once again the flexibility of MUPHY in simulating biofluidic phenomena, exploiting at their best the features of the architecture in use. Preliminary results were obtained in the present case on a completely different platform, the IBM Blue Gene/Q. The combination of novel mathematical models, computational algorithms, hardware technology, code tuning and parallelization techniques required to achieve these results are presented.

Computer Science↗

Exploiting communication concurrency on high performance computing systems

Although logically available, applications may not exploit enough instantaneous communication concurrency to maximize hardware utilization on HPC systems. This is exacerbated in hybrid programming models such as SPMD+OpenMP. We present the design of a "multi-threaded" runtime able to transparently increase the instantaneous network concurrency and to provide near saturation bandwidth, independent of the application configuration and dynamic behavior. The runtime forwards communication requests from application level tasks to multiple communication servers. Our techniques alleviate the need for spatial and temporal application level message concurrency optimizations. Experimental results show improved message throughput and bandwidth by as much as 150% for 4KB bytes messages on InfiniBand and by as much as 120% for 4KB byte messages on Cray Aries. For more complex operations such as all-to-all collectives, we observe as much as 30% speedup. This translates into 23% speedup on 12,288 cores for a NAS FT implemented using FFTW. We also observe as much as 76% speedup on 1,500 cores for an already optimized UPC+OpenMP geometric multigrid application using hybrid parallelism.

97 MATHEMATICS AND COMPUTING↗

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↗

Scalable Energy Efficiency with Resilience for High Performance Computing Systems: A Quantitative Methodology

Energy efficiency and resilience are two crucial challenges for HPC systems to reach exascale. While energy efficiency and resilience issues have been extensively studied individually, little has been done to understand the interplay between energy efficiency and resilience for HPC systems. Decreasing the supply voltage associated with a given operating frequency for processors and other CMOS-based components can significantly reduce power consumption. However, this often raises system failure rates and consequently increases application execution time. In this work, we present an energy saving undervolting approach that leverages the mainstream resilience techniques to tolerate the increased failures caused by undervolting.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

FacultyHack Events: Faculty-Focused Hackathons for High-Performance Computing Curriculum Development

Broadening participation initiatives are important for engaging underrepresented groups in science, technology, engineering, and math (STEM). Such initiatives help foster supportive and inclusive work environments that promote creativity and productivity. While there are initiatives that aim to engage students and faculty, opportunities remain to improve faculty support. Hackathons have proved to be a useful approach for student engagement. There are, however, limited insights into whether and how such events would also work for faculty aiming to develop curricula. This paper discusses the design of a faculty-focused hackathon event, FacultyHack, for curriculum development. We outline the logistics and structure for two past FacultyHack events, detail changes between events, and describe potential improvements and lessons learned.

Holmen, John [ORNL] (ORCID:0000000259342641)↗

High Performance Computing Cluster Engineering Academy

Collection of tools and code for evaluation testing of HPC orchestration solutions by HPCCEA summer students. These scripts and configuration files were written by HPCCEA summer students as part of their summer internship where they explore alternative solutions to our current HPC cluster management software. These scripts/configuration files range from using configuration management tools (Puppet, Chef, Ansible, Fabric, etc.) to scripting languages (Phython, BASH, Perl, etc.). Each year, new students will be added to the project and expand on previous years work.

Bennett, ThomasG↗