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At least 793 records · Page 44

Parallelization of a three-dimensional compressible transition code

The compressible, three-dimensional, time-dependent Navier-Stokes equations are solved on a 20 processor Flex/32 computer. The code is a parallel implementation of an existing code operational on the Cray-2 at NASA Ames, which performs direct simulations of the initial stages of the transition process of wall-bounded flow at supersonic Mach numbers. Spectral collocation in all three spatial directions (Fourier along the plate and Chebyshev normal to it) ensures high accuracy of the flow variables. By hiding most of the parallelism in low-level routines, the casual user is shielded from most of the nonstandard coding constructs. Speedups of 13 out of a maximum of 16 are achieved on the largest computational grids.

Erlebacher, G.↗

Concurrent and vectorized mixed time, explicit nonlinear structural dynamics algorithms

A nonlinear structural dynamics program with an element library that exploits parallel processing is described. The aim is to exploit scheduling-allocation so that parallel processing and vectorization can effectively be treated in a general purpose program with explicit time integration and different time steps in different parts of the mesh. The program uses an element group scheme, which, as a by-product, also provides an automatic scheme for assigning different time steps to different parts of the mesh. The program has been tested on the Alliant FX/8; it shows a fivefold improvement in speed over compiler optimization.

Belytschko, Ted↗

Linear static structural and vibration analysis on high-performance computers

Parallel computers offer the oppurtunity to significantly reduce the computation time necessary to analyze large-scale aerospace structures. This paper presents algorithms developed for and implemented on massively-parallel computers hereafter referred to as Scalable High-Performance Computers (SHPC), for the most computationally intensive tasks involved in structural analysis, namely, generation and assembly of system matrices, solution of systems of equations and calculation of the eigenvalues and eigenvectors. Results on SHPC are presented for large-scale structural problems (i.e. models for High-Speed Civil Transport). The goal of this research is to develop a new, efficient technique which extends structural analysis to SHPC and makes large-scale structural analyses tractable.

Baddourah, M. A.↗

Advances in Parallelization for Large Scale Oct-Tree Mesh Generation

Despite great advancements in the parallelization of numerical simulation codes over the last 20 years, it is still common to perform grid generation in serial. Generating large scale grids in serial often requires using special "grid generation" compute machines that can have more than ten times the memory of average machines. While some parallel mesh generation techniques have been proposed, generating very large meshes for LES or aeroacoustic simulations is still a challenging problem. An automated method for the parallel generation of very large scale off-body hierarchical meshes is presented here. This work enables large scale parallel generation of off-body meshes by using a novel combination of parallel grid generation techniques and a hybrid "top down" and "bottom up" oct-tree method. Meshes are generated using hardware commonly found in parallel compute clusters. The capability to generate very large meshes is demonstrated by the generation of off-body meshes surrounding complex aerospace geometries. Results are shown including a one billion cell mesh generated around a Predator Unmanned Aerial Vehicle geometry, which was generated on 64 processors in under 45 minutes.

O'Connell, Matthew↗

Development of a Route Crossing Tool for Shared Airspace Environments

In current-day Terminal Radar Approach Control (TRACON) operations, departure and arrival controllers maintain separate and dedicated airspace for their respective traffic flows. Although this practice has obvious safety features, it also leads to inefficiencies; for example, departure aircraft may be routinely capped beneath arrival airspace. With the right decision-support and coordination tools, departures could continue to climb through arrival airspace when sufficient gaps exist. Previous studies of ‘shared airspace’ have examined pre-arranged coordination procedures, as well as tools that gave feedback to the controllers on where gaps between arrivals were located and whether the departure aircraft could be scheduled to fly through those gaps [1, 2, 3, 4]. Since then, the Route Crossing Tool (RCT) has been developed to allow controllers to assess multiple pre-defined route options at points where the arrivals and departures cross, thereby increasing the possibility of climbing a departure through an arrival gap.The RCT aids in ensuring lateral separation between departure and arrival aircraft that pass through the same altitude. Since the RCT can be applied tactically, it can enable aircraft to fly through arrival flows even if these aircraft depart outside scheduled times. The RCT makes use of a set of predefined parallel departure routes crossing the arrival flow at equidistant intersecting points on the arrival route. The RCT uses the Estimated Time of Arrival (ETA) of the departure aircraft at each intersecting point to calculate the lateral separation with the neighboring arrivals when it crosses that point; this information is graphically displayed to the controller. Additionally, the RCT incorporates forecast winds in its ETA predictions.Multiple prototypes of the RCT have been iteratively developed with feedback from Subject Matter Experts (SMEs). This paper presents the final design, the design process, and lessons learned. Initial results from a simulation suggest that the tool was successful in helping controllers to safely climb more aircraft. Controller feedback on the tool was also positive.

shared airspace↗

Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model

We recently outlined an efficient multi-tiered parallel ab initio excitonic framework that utilizes time dependent density functional theory (TDDFT) to calculate ground and excited state energies and gradients of large supramolecular complexes in atomistic detail – enabling us to undertake non-adiabatic simulations which explicitly account for the coupled anharmonic vibrational motion of all the constituent atoms in a supramolecular system. Here we apply that framework to the 27 coupled bacterio-chlorophyll-a chromophores which make up the LH2 complex, using it to compute an on-the-fly nonadiabatic surface-hopping (SH) trajectory of electronically excited LH2. Part one of this article is focussed on calibrating our ab initio exciton Hamiltonian using two key parameters: a shift δ, which corrects for the error in TDDFT vertical excitation energies; and an effective dielectric constant ε, which describes the average screening of the transition-dipole coupling between chromophores. Using snapshots obtained from equilibrium molecular dynamics simulations (MD) of LH2, we tune the values of both δ and ε through fitting to the thermally broadened experimental absorption spectrum, giving a linear absorption spectrum that agrees reasonably well with experiment. In part two of this article, we construct a time-resolved picture of the coupled vibrational and excitation energy transfer (EET) dynamics in the sub-picosecond regime following photo-excitation. Assuming Franck–Condon excitation of a narrow eigenstate band centred at 800 nm, we use surface hopping to follow a single nonadiabatic dynamics trajectory within the full eigenstate manifold. Consistent with experimental data, this trajectory gives timescales for B800→B850 population transfer (τ B800→B850 ) between 650–1050 fs, and B800 population decay (τ 800→ ) between 10–50 fs. The dynamical picture that emerges is one of rapidly fluctuating LH2 eigenstates that are delocalized over multiple chromophores and undergo frequent crossing on a femtosecond timescale as a result of the atomic vibrations of the constituent chromophores. The eigenstate fluctuations arise from disorder that is driven by vibrational dynamics with multiple characteristic timescales. The scalability of our ab initio excitonic computational framework across massively parallel architectures opens up the possibility of addressing a wide range of questions, including how specific dynamical motions impact both the pathways and efficiency of electronic energy-transfer within large supramolecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Rolling Horizon with K-Position Search Method for Strategic Deconfliction of Package Delivery UAS

This research focuses on the strategic deconfliction of unmanned aircraft systems (UAS) in an urban package delivery environment with two depots and multiple drop-off locations. Since the formulated mixed-integer nonlinear programming (MINLP) problem is non-deterministic polynomial-time (NP) hard, a heuristic algorithm called "rolling horizon with k-position search (KPS)" is used to compute the departure sequence and scheduled time of departure (STD) of each UAS at a depot, considering temporal constraints at en-route crossing waypoints and depots for strategic deconfliction. The simulation studies show that an increase in the value of k (local neighborhood search) in the KPS reduces the average ground delay at the cost of an increase in the computation time for a given number of UAS, size of the rolling horizon window, and number of depots involved in the local neighborhood search. The studies also show that for a given rolling horizon window, the computation time increases exponentially with an increase in the total number of UAS flights when serial processing the local neighborhood search of KPS (with k > 1) and drops by an order of magnitude upon performing the local neighborhood search of KPS using parallel processing instead of serial processing. The computation time drops with the reduction in air traffic complexity of a scenario for a given number of flights, k (local neighborhood search), and rolling horizon window.

UTM↗

Battery asset management with cycle life prognosis

We report Battery Asset Management problem determines the minimum cost replacement schedules for each individual asset in a group of battery assets that operate in parallel. Battery cycle life varies under different operating conditions including temperature, depth of discharge (DOD), charge rate, etc., and a battery deteriorates due to usage, which cannot be handled by current asset management models. This paper presents a new battery asset management methodology where battery cycle life prognosis is integrated with parallel asset management to reduce lifecycle cost of the Battery Energy Storage Systems (BESS). For the battery failure time prognosis, a nonlinear physics-based battery capacity fade model is developed and incorporated in parallel asset management model to update battery capacity over time. Experiment results have shown that the developed battery asset management methodology can be conveniently used to facilitate BESS asset management decision making thereby decreasing asset lifecycle costs.

25 ENERGY STORAGE↗

Electromagnetic pulse coupling through an aperture into a two-parallel-plate region

Analysis of electromagnetic-pulse (EMP) penetration via apertures into cavities is an important study in designing hardened systems. In this paper, an integral equation procedure is developed for determining the frequency and consequently the time behavior of the field inside a two-parallel-plate region excited through an aperture by an EMP. Some discussion of the numerical results is also included in the paper for completeness.

Rahmat-Samii, Y.↗

Characterization and Optimization of the Fitting of Quantum Correlation Functions

This case study presents a characterization and optimization of an application code for extracting parton distribution functions from high energy electron-proton scattering data. Profiling this application code reveals that the phase-space density computation accounts for 93% of the overall execution time for a single iteration on a single core. When executing multiple iterations in parallel on a multicore system, the application spends 78% of its overall execution time idling due to load imbalance. We address these issues by first transforming the application code from Python to C++ and then tackling the application load imbalance via a hybrid scheduling strategy that combines dynamic and static scheduling. These techniques result in a 62% reduction in CPU idle time and a 2.46x speedup in overall execution time per node. In addition, the typically enabled power-management mechanisms in supercomputers (e.g., AMD Turbo Core, Intel Turbo Boost, and RAPL) can significantly impact intra-node scalability when more than 50% of the CPU cores are used. This finding underscores the importance of understanding system interactions with power management, as they can adversely impact application performance, and highlights the necessity of intra-node scaling tests to identify performance degradation that inter-node scaling tests might otherwise overlook.

Chuang, Pi-Yueh [Virginia Tech,Dept. of Computer S↗

SU-E-I-36: A KWIC and Dirty Look at Dose Savings and Perfusion Metrics in Simulated CT Neuro Perfusion Exams

Purpose: CT neuro perfusion scans are one of the highest dose exams. Methods to reduce dose include decreasing the number of projections acquired per gantry rotation, however conventional reconstruction of such scans leads to sampling artifacts. In this study we investigated a projection view-sharing reconstruction algorithm used in dynamic MRI – “K-space Weighted Image Contrast” (KWIC) – applied to simulated perfusion exams and evaluated dose savings and impacts on perfusion metrics. Methods: A FORBILD head phantom containing simulated time-varying objects was developed and a set of parallel-beam CT projection data was created. The simulated scans were 60 seconds long, 1152 projections per turn, with a rotation time of one second. No noise was simulated. 5mm, 10mm, and 50mm objects were modeled in the brain. A baseline, “full dose” simulation used all projections and reduced dose cases were simulated by downsampling the number of projections per turn from 1152 to 576 (50% dose), 288 (25% dose), and 144 (12.5% dose). KWIC was further evaluated at 72 projections per rotation (6.25%). One image per second was reconstructed using filtered backprojection (FBP) and KWIC. KWIC reconstructions utilized view cores of 36, 72, 144, and 288 views and 16, 8, 4, and 2 subapertures respectively. From the reconstructed images, time-to-peak (TTP), cerebral blood flow (CBF) and the FWHM of the perfusion curve were calculated and compared against reference values from the full-dose FBP data. Results: TTP, CBF, and the FWHM were unaffected by dose reduction (to 12.5%) and reconstruction method, however image quality was improved when using KWIC. Conclusion: This pilot study suggests that KWIC preserves image quality and perfusion metrics when under-sampling projections and that the unique contrast weighting of KWIC could provided substantial dose-savings for perfusion CT scans. Evaluation of KWIC in clinical CT data will be performed in the near future. R01 EB014922, NCI Grant U01 CA181156 (Quantitative Imaging Network), and Tobacco Related Disease Research Project grant 22RT-0131.

60 APPLIED LIFE SCIENCES↗

A distributed version of the NASA Engine Performance Program

Distributed NEPP, a version of the NASA Engine Performance Program, uses the original NEPP code but executes it in a distributed computer environment. Multiple workstations connected by a network increase the program's speed and, more importantly, the complexity of the cases it can handle in a reasonable time. Distributed NEPP uses the public domain software package, called Parallel Virtual Machine, allowing it to execute on clusters of machines containing many different architectures. It includes the capability to link with other computers, allowing them to process NEPP jobs in parallel. This paper discusses the design issues and granularity considerations that entered into programming Distributed NEPP and presents the results of timing runs.

Cours, Jeffrey T.↗

Linear Static Structural and Vibration Analysis on High-Performance Computers

Parallel computers offer the opportunity to significantly reduce the computation time necessary to analyze large-scale aerospace structures. This paper presents algorithms developed for and implemented on a massively-parallel computers hereafter referred to as Scalable High Performance Computers (SHPC) for the most computationally intensive tasks involved in structural analysis, namely, generation and assembly of system matrices, solution of systems of equations and calculation of the eigenvalues and eigenvectors. Results on SHPC are presented for large-scale structural problems (i.e. Models of high speed civil transport). The goal of this research is to develop new efficient technique which extend structural analysis to SHPC and make large-scale structural analyses tractable.

Baddourah, Majdi↗

WE-AB-204-02: Molecular-Imaging Based Assessment of Liver Complications for Yttrium-90 Microsphere Treatments: Can Existing NTCP Models Explain Clinical Outcomes?

Purpose: To evaluate weather the current radiobiological models can predict the normal liver complications of radioactive Yttrium-90 ({sup 90}Y) selective-internal-radiation-treatment (SIRT) for metastatic liver lesions based on the post-infusion {sup 90}Y PET images. Methods: A total of 20 patients with metastatic liver tumors treated with SIRT that received a post-infusion {sup 90}Y-PET/CT scan were analyzed in this work. The 3D activity distribution of the PET images was converted into a 3D dose distribution via a kernel convolution process. The physical dose distribution was converted into the equivalent dose (EQ2) delivered at 2 Gy based on the linear-quadratic (LQ) model considering the dose rate effect. The biological endpoint of this work was radiation-induce liver disease (RILD). The NTCPs were calculated with four different repair-times (T1/2-Liver-Repair= 0,0.5,1.0,2.0 hr) and three published NTCP models (Lyman-external-RT, Lyman 90Y-HCC-SIRT, parallel model) were compared to the incidence of RILD of the recruited patients to evaluate their ability of outcome prediction. Results: The mean normal liver physical dose (avg. 51.9 Gy, range 31.9–69.8 Gy) is higher than the suggested liver dose constraint for external beam treatment (∼30 Gy). However, none of the patients in our study developed RILD after the SIRT. The estimated probability of ‘no patient developing RILD’ obtained from the two Lyman models are 46.3% to 48.3% (T1/2-Liver-Repair= 0hr) and <1% for all other repair times. For the parallel model, the estimated probability is 97.3% (0hr), 51.7% (0.5hr), 2.0% (1.0hr) and <1% (2.0hr). Conclusion: Molecular-images providing the distribution of {sup 90}Y enable the dose-volume based dose/outcome analysis for SIRT. Current NTCP models fail to predict RILD complications in our patient population, unless a very short repair-time for the liver is assumed. The discrepancy between the Lyman {sup 90}Y-HCC-SIRT model predicted and the clinically observed outcomes further demonstrates the need of an NTCP model specific to the metastatic liver SIRT.

60 APPLIED LIFE SCIENCES↗

Pairwise‐Parallel Entangling Gates on Orthogonal Modes in a Trapped‐Ion Chain

Abstract Parallel operations are important for both near‐term quantum computers and larger‐scale fault‐tolerant machines because they reduce execution time and qubit idling. This study proposes and implements a pairwise‐parallel gate scheme on a trapped‐ion quantum computer. The gates are driven simultaneously on different sets of orthogonal motional modes of a trapped‐ion chain. This work demonstrates the utility of this scheme by creating a Greenberger‐Horne‐Zeilinger (GHZ) state in one step using parallel gates with one overlapping qubit. It also shows its advantage for circuits by implementing a digital quantum simulation of the dynamics of an interacting spin system, the transverse‐field Ising model. This method effectively extends the available gate depth by up to two times with no overhead when no overlapping qubit is involved, apart from additional initial cooling. This scheme can be easily applied to different trapped‐ion qubits and gate schemes, broadly enhancing the capabilities of trapped‐ion quantum computers.

Optics↗

Route planning in a four-dimensional environment

Robots must be able to function in the real world. The real world involves processes and agents that move independently of the actions of the robot, sometimes in an unpredictable manner. A real-time integrated route planning and spatial representation system for planning routes through dynamic domains is presented. The system will find the safest most efficient route through space-time as described by a set of user defined evaluation functions. Because the route planning algorthims is highly parallel and can run on an SIMD machine in O(p) time (p is the length of a path), the system will find real-time paths through unpredictable domains when used in an incremental mode. Spatial representation, an SIMD algorithm for route planning in a dynamic domain, and results from an implementation on a traditional computer architecture are discussed.

Slack, M. G.↗

Aerodynamic Influence Coefficient Computations Using Euler/Navier-Stokes Equations on Parallel Computers

Modem design requirements for an aircraft push current technologies used in the design process to their limit or sometimes require more advanced technologies to meet the requirement. New design requirements always demand to improve the operational performance. Accurate prediction of aerodynamic coefficients is essential to improve the performance. For example, in the design of an advanced subsonic civil transport, since the fluid flow at transonic regime shows strong nonlinearities, high fidelity equations, such as the Euler or Navier-Stokes equations predict flow characteristics more accurately than the linear aerodynamics, which are widely used in the current design process However, high fidelity flow equations are computationally expensive and require an order of magnitude longer time to obtain aerodynamic coefficients required in the design. Parallel computing is one possibility to cut down the computational turn-around time in using high fidelity equations so that high fidelity equations would be incorporated into the design process. By doing so, high fidelity equations would be used in the routine design process. This work will demonstrate the feasibility of using high fidelity flow equations in a design process by computing aerodynamic influence coefficients of a wing-body-empennage configuration on a multiple-instruction, multiple-data parallel computer.

Byun, Chansup↗

Optimizing the hit finding algorithm for liquid argon TPC neutrino detectors using parallel architectures

Neutrinos are particles that interact rarely, so identifying them requires large detectors which produce lots of data. Processing this data with the computing power available is becoming even more difficult as the detectors increase in size to reach their physics goals. Liquid argon time projection chamber (LArTPC) neutrino experiments are expected to grow in the next decade to have 100 times more wires than in currently operating experiments, and modernization of LArTPC reconstruction code, including parallelization both at data- and instruction-level, will help to mitigate this challenge. The LArTPC hit finding algorithm is used across multiple experiments through a common software framework. In this paper we discuss a parallel implementation of this algorithm. Using a standalone setup we find speedup factors of two times from vectorization and 30–100 times from multi-threading on Intel architectures. The new version has been incorporated back into the framework so that it can be used by experiments. On a serial execution, the integrated version is about 10 times faster than the previous one and, once parallelization is enabled, more speedups comparable to the standalone program are achieved.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗