Search NASA⌕ Search

SEARCH · Search NASA

Results for “parallelcomputing”

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.

2 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2021

Revisiting Topographic Horizons in the Era of Big Data and Parallel Computing

Widely used to calculate illumination geometry forestimates of solar and emitted longwave radiation, and forcorrecting remotely sensed data for topographic effects, digitalelevation models (DEMs) are now extensive globally at 10–30-mspatial resolution and locally at spatial resolutions down to afew centimeters. Globally, regionally, or locally, elevation datasetshave many grid points. Many software packages calculate gradi-ents over every grid cell or point, but in the mountains, shadingby nearby terrain must also be assessed. Terrain may obscure aslope that would otherwise face the Sun. Four decadesago, a fastmethod to calculate topographic horizons at every point in anelevation grid required computations related only linearly to thesize of the grid, but grids now have so many points that parallelcomputing still provides an advantage. Exploiting parallelismover terrain grids can use alternative strategies: among columnsof a rotated grid, or simultaneously at multiple rotation angles,or on different tiles of a grid. On a multi-processor machine, theimprovement in computing time approaches 2/3 the number ofprocessors deployed,

Jeff Dozier↗
DOE OSTI2020

On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters

The predominance of Kohn–Sham density functional theory (KS-DFT) for the theoretical treatment of large experimentally relevant systems in molecular chemistry and materials science relies primarily on the existence of efficient software implementations which are capable of leveraging the latest advances in modern high-performance computing (HPC). With recent trends in HPC leading toward increasing reliance on heterogeneous accelerator-based architectures such as graphics processing units (GPU), existing code bases must embrace these architectural advances to maintain the high levels of performance that have come to be expected for these methods. In this work, we purpose a three-level parallelism scheme for the distributed numerical integration of the exchange-correlation (XC) potential in the Gaussian basis set discretization of the Kohn–Sham equations on large computing clusters consisting of multiple GPUs per compute node. In addition, we purpose and demonstrate the efficacy of the use of batched kernels, including batched level-3 BLAS operations, in achieving high levels of performance on the GPU. We demonstrate the performance and scalability of the implementation of the purposed method in the NWChemEx software package by comparing to the existing scalable CPU XC integration in NWChem.

97 MATHEMATICS AND COMPUTING↗