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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Porting WarpX to GPU-accelerated platforms

WarpX is a general purpose electromagnetic particle-in-cell code that was originally designed to run on many-core CPU architectures. We describe the strategy, based on the AMReX library, followed to allow WarpX to use the GPU-accelerated nodes on OLCF’s Summit supercomputer, a strategy we believe will extend to the upcoming machines Frontier and Aurora. We summarize the challenges encountered, lessons learned, and give current performance results on a series of relevant benchmark problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Multi-GPU porting of a phase-change cascaded lattice Boltzmann method for three-dimensional pool boiling simulations

The Lattice Boltzmann method (LBM) has proven effective in simulating phase-change phenomena, such as melting, solidification, evaporation, and boiling. In this work, we develop a highly parallelized multi-GPU implementation of LBM for three-dimensional pool boiling simulations. The code is based on the OpenACC programming model, which enables the code to be deployed efficiently on multi-core CPUs, GPUs, and potentially other accelerators, without the need for architecture-specific rewrites. To support large-scale simulations, the domain is decomposed and distributed across multiple compute nodes using MPI. We demonstrate that the code exhibits excellent scaling properties, with ideal strong-scaling running with up to 256 GPUs on the MareNostrum5 cluster.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Porting Fragmentation Methods to Graphical Processing Units Using an OpenMP Application Programming Interface: Offloading the Fock Build for Low Angular Momentum Functions

Here, a framework to offload four-index two-electron repulsion integrals to graphical processing units (GPUs) using OpenMP is discussed. The method has been applied to the Fock build for low angular momentum s and p functions in both the restricted Hartree–Fock (RHF) and in the effective fragment molecular orbital (EFMO) framework. Benchmark calculations for the GPU code for the pure RHF method show an increasing speedup relative to the existing OpenMP CPU code in GAMESS from 1.04 to 52× for clusters of 70–569 water molecules. The parallel efficiency on 24 NVIDIA V100 GPU boards also increases when increasing the system size: from 75 to 94% for water clusters that contain 303–1120 molecules. In the EFMO framework, the GPU Fock build shows a high linear scalability up to 4608 V100s with a parallel efficiency of 96% for calculations on a solvated mesoporous silica nanoparticle system with ~67,000 basis functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

150 {mu}A 18F{sup -} target and beam port upgrade for the IBA 18/9 cyclotron

A high power ({approx}3 kW) target platform has been developed for the IBA 18/9 cyclotron. New designs for the airlock, collimator and target subsystems have been fabricated and deployed. The primary project goal is reliable commercial production of 18F{sup -} at 150 {mu}A or greater, while secondary goals include improving serviceability and extending service intervals relative to OEM systems. Reliable operation in a production environment has been observed at beam currents up to 140 {mu}A. Challenges include ion source lifetime and localized peaking in the beam intensity distribution.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

In situ broadband cryogenic calibration for two-port superconducting microwave resonators

We introduce an improved microwave calibration method for use in a cryogenic environment, based on a traditional three-standard calibration, the Thru-Reflect-Line (TRL) calibration. The modified calibration method takes advantage of additional information from multiple measurements of an ensemble of realizations of a superconducting resonator, as a new pseudo-Open standard, to correct errors in the TRL calibration. We also demonstrate an experimental realization of this in situ broadband cryogenic calibration system utilizing cryogenic switches. All calibration measurements are done in the same thermal cycle as the measurement of the resonator (requiring only an additional 20 min), thus avoiding 4 additional thermal cycles for traditional TRL calibration (which would require an additional 12 days). The experimental measurements on a wave-chaotic microwave billiard verify that the new method significantly improves the measured scattering matrix of a high-quality-factor superconducting resonator.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Intrinsic quality factor extraction of multi-port cavity with arbitrary coupling

In this work, we derived S-parameter based expressions for the intrinsic quality factor of an arbitrary coupled multiport microwave cavity and a non-ideal test fixture. Practical accuracy limitations of the obtained expressions specifically for superconducting accelerator cavities were evaluated both analytically and with the simulation software. The resulting formulas can be used to extract the intrinsic quality factor of normal-conducting and superconducting cavities directly from the calibrated S-parameter measurements.

43 PARTICLE ACCELERATORS↗