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At least 793 records · Page 44

Initial experience with distributing structural calculations among computers operating in parallel

An existing program is currently being adapted to perform finite element analysis by distributing substructures over a network of four Apple IIe microcomputers connected to a shared disk. In this network, one microcomputer controls the entire process while the others perform the analysis on each substructure in parallel. This substructure analysis is used in an iterative, fully stressed, structural resizing procedure. This procedure allows experimentatation with resizing in which all analyses are not completed during a single iteration. This research gives some insight on how to configure multidiscriplinary analysis and optimization procedures for decomposable engineering systems using either high performance engineering workstations or a parallel processor supercomputer. In addition, the operational experience gained facilitates the implementation of analysis programs on these new computers when they become available in an engineering environment.

Rogers, J. L., Jr.↗

Calculation of Multistage Turbomachinery Using Steady Characteristic Boundary Conditions

A multiblock Navier-Stokes analysis code for turbomachinery has been modified to allow analysis of multistage turbomachines. A steady averaging-plane approach was used to pass information between blade rows. Characteristic boundary conditions written in terms of perturbations about the mean flow from the neighboring blade row were used to allow close spacing between the blade rows without forcing the flow to be axisymmetric. In this report the multiblock code is described briefly and the characteristic boundary conditions and the averaging-plane implementation are described in detail. Two approaches for averaging the flow properties are also described. A two-dimensional turbine stator case was used to compare the characteristic boundary conditions with standard axisymmetric boundary conditions. Differences were apparent but small in this low-speed case. The two-stage fuel turbine used on the space shuttle main engines was then analyzed using a three-dimensional averaging-plane approach. Computed surface pressure distributions on the stator blades and endwalls and computed distributions of blade surface heat transfer coefficient on three blades showed very good agreement with experimental data from two tests.

Chima, Rodrick V.↗

Quantifying the distribution of paste-void spacing of hardened cement paste using X-ray computed tomography

The distribution of paste-void spacing in cement-based materials is an important feature related to the freeze-thaw durability of these materials, but its reliable estimation remains an unresolved problem. Herein, we evaluate the capability of X-ray computed tomography (CT) for reliable quantification of the distribution of paste-void spacing. Using X-ray CT images of three mortar specimens having different air-entrainment characteristics, we calculate the distributions of paste-void spacing of the specimens by applying previously suggested methods for deriving the exact spacing of air-void systems. This methodology is assessed by comparing the 95th percentile of the cumulative distribution function of the paste-void spacing with spacing factors computed by applying the linear-traverse method to 3D air-void system and reconstructing equivalent air-void distribution in 3D. Results show that the distributions of equivalent void diameter and paste-void spacing follow lognormal and normal distributions, respectively, and the ratios between the 95th percentile paste-void spacing value and the spacing factors reside within the ranges reported by previous numerical studies. This experimental finding indicates that the distribution of paste-void spacing quantified using X-ray CT has the potential to be the basis for a statistical assessment of the freeze-thaw durability of cement-based materials. - Highlights: Black-Right-Pointing-Pointer The paste-void spacing in 3D can be quantified by X-ray CT. Black-Right-Pointing-Pointer The distribution of the paste-void spacing follows normal distribution. Black-Right-Pointing-Pointer The spacing factor and 95th percentile of CDF of paste-void spacing are correlated.

36 MATERIALS SCIENCE↗

Distributed output-feedback model predictive control for multi-agent consensus

We introduce a distributed output-feedback model predictive control approach for achieving consensus among multiple agents. Each agent computes a distributed control action based on an output-feedback measurement of a local neighborhood tracking error and communicates information only to its neighbors, according to a communication network modeled as a directed graph. Each agent computes its distributed control action by solving a local min–max optimization problem that simultaneously computes a local state estimate and control input under worst-case assumptions on unmeasured input disturbances and measurement noise. Under easily verified controllability and observability assumptions, this distributed output-feedback model predictive control approach provides an upper bound on the group consensus error, thereby ensuring practical consensus in the presence of unmeasured disturbances and noise. A numerical example with four agents connected in a directed graph is demonstrated to illustrate the results.

42 ENGINEERING↗

Techniques and Tools for Performance Tuning of Parallel and Distributed Scientific Applications

Performance degradation in scientific computing on parallel and distributed computer systems can be caused by numerous factors. In this half-day tutorial we explain what are the important methodological issues involved in obtaining codes that have good performance potential. Then we discuss what are the possible obstacles in realizing that potential on contemporary hardware platforms, and give an overview of the software tools currently available for identifying the performance bottlenecks. Finally, some realistic examples are used to illustrate the actual use and utility of such tools.

Sarukkai, Sekhar R.↗

Computation-Efficient Algorithm for Distributed Feedback Optimization of Distribution Grids

Feedback-based optimization algorithms use real-time measurements to update the optimal control for the underlying system which may not be fully identified. Recently, we have developed a distributed feedback-based algorithm [1] that avoids the requirement of fast communication between central computing and local actuator/sensor agents. This paper extends the work by greatly reducing the number of copies of variables involved in the distributed feedback-based algorithm, which results in faster convergence and lower communication requirement. The main idea is to leverage the specific structural properties of the admittance matrix for distribution systems with tree network topology. We also show the effectiveness of the proposed algorithm in simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Virtual Framework for Development and Testing of Federation Software Stack

Softwarization of networked infrastructures combined with containerization of codes promises unprecedented computing capabilities distributed across the federations of computing systems and physical instruments. The development and testing of a software stack that implements these capabilities over an expensive physical production infrastructure is not cost-effective, and in the early stages, may potentially cause service disruptions. To address these aspects, we develop the Virtual Federated Science Instrument Environment (VFSIE), a digital twin of the physical infrastructure that emulates a multi-site federation. Each federated site is emulated using containers and virtual hosts that are connected over local-area networks, and the sites, in turn, are connected over an emulated wide-area network. We describe the framework design and implementation details. We also illustrate its application by emulating a federation of four laboratories that use Jupyter Notebook for computations and the EPICS software system for instrument control.

Al Najjar, Anees↗

Approximations to microwave attenuation in precipitation

A three-term approximation and a discrete drop-size distribution have been used to obtain an analytical expression for the microwave attenuation coefficient for precipitation. Results compared to an exact calculation using the same drop size distribution showed a relative difference of 50% or less over a broad range of rainrates (5-150 mm/hr) and wavelengths (2-5 cm). Since the use of a discrete drop-size distribution is computationally complex, the exponential size distribution formulated by Marshall and Palmer (1948) was studied. This distribution resulted in an overprediction of the attenuation coefficient of as much as 100% at a 2 cm wavelength and a 150 mm/hr rainrate, although the prediction was much closer at lower rainrates and different wavelengths.

Kalshoven, J. E., Jr.↗

Partitioning of large space structures vibration control computations

The vibration control of large space structures is studied. It is found to be computationally demanding. Distribution of the vibration control computations among central and local processors can significantly reduce the throughput required from the central processor and may also result in improved performance due to reduced transport lag.

Kernan, J.↗

SU-E-T-517: Analytic Formalism to Compute in Real Time Dose Distributions Delivered by HDR Units

Purpose: Develop an analytical algorithm to compute the dose delivered by Ir-192 dwell positions with high accuracy using the 3-dimensional (3D) dose distribution of an HDR source. Using our analytical function, the dose delivered by an HDR unit as treatment progresses can be determined using the actual delivered temporal and positional data of each individual dwell. Consequently, true delivered dose can be computed when each catheter becomes active. We hypothesize that the knowledge of such analytical formulation will allow developing HDR systems with a real time treatment evaluation tool to avoid mistreatments. Methods: In our analytic formulation, the dose is computed by using the full anisotropic function data of the TG 43 formalism with 3D ellipsoidal function. The discrepancy between the planned dose and the delivered dose is computed using an analytic perturbation method over the initial dose distribution. This methodology speeds up the computation because only changes in dose discrepancies originated by spatial and temporal deviations are computed. A dose difference map at the point of interest is obtained from these functions and this difference can be shown during treatment in real time to examine the treatment accuracy. Results: We determine the analytical solution and a perturbation function for the 3 translational 3 rotational, and 1D temporal errors in source distributions. The analytic formulation is a sequence of simple equations that can be processed in any modern computer in few seconds. Because computations are based in an analytical solution, small deviations of the dose when sub-millimeter positional changes occur can be detected. Conclusions: We formulated an analytical method to compute 4D dose distributions and dose differences based on an analytical solution and perturbations to the original dose. This method is highly accurate and can be.

60 APPLIED LIFE SCIENCES↗

A general method for calculating three-dimensional compressible laminar and turbulent boundary layers on arbitrary wings

The method described utilizes a nonorthogonal coordinate system for boundary-layer calculations. It includes a geometry program that represents the wing analytically, and a velocity program that computes the external velocity components from a given experimental pressure distribution when the external velocity distribution is not computed theoretically. The boundary layer method is general, however, and can also be used for an external velocity distribution computed theoretically. Several test cases were computed by this method and the results were checked with other numerical calculations and with experiments when available. A typical computation time (CPU) on an IBM 370/165 computer for one surface of a wing which roughly consist of 30 spanwise stations and 25 streamwise stations, with 30 points across the boundary layer is less than 30 seconds for an incompressible flow and a little more for a compressible flow.

Cebeci, T.↗

Ion Exchange Distribution Coefficient Tests and Computer Modeling at High Ionic Strength Supporting Technetium Removal Resin Maturation

The primary treatment of the tank waste at the DOE Hanford site will be done in the Waste Treatment and Immobilization Plant (WTP) that is currently under construction. The baseline plan for this facility is to treat the waste, splitting it into High Level Waste (HLW) and Low Activity Waste (LAW). Both waste streams are then separately vitrified as glass and poured into canisters for disposition. The LAW glass will be disposed onsite in the Integrated Disposal Facility (IDF). There are currently no plans to treat the waste to remove technetium, so its disposition path is the LAW glass. Due to the water solubility properties of pertechnetate and long half-life of 99 Tc, effective management of 99 Tc is important to the overall success of the Hanford River Protection Project mission. To achieve the full target WTP throughput, additional LAW immobilization capacity is needed, and options are being explored to immobilize the supplemental LAW portion of the tank waste. Removal of 99 Tc, followed by off-site disposal, would eliminate a key risk contributor for the IDF Performance Assessment (PA) for supplemental waste forms, and has potential to reduce treatment and disposal costs. Washington River Protection Solutions (WRPS) is developing some conceptual flow sheets for supplemental LAW treatment and disposal that could benefit from technetium removal. One of these flowsheets will specifically examine removing 99 Tc from the LAW feed stream to supplemental immobilization. To enable an informed decision regarding the viability of technetium removal, further maturation of available technologies is being performed. This report contains results of experimental ion exchange distribution coefficient testing and computer modeling using the resin SuperLig ® 639 a to selectively remove perrhenate from high ionic strength simulated LAW. It is advantageous to operate at higher concentration in order to treat the waste stream without dilution and to minimize the volume of the final wasteform. This work examined the impact of high ionic strength, high density, and high viscosity if higher concentration LAW feed solution is used. Perrhenate (ReO 4 - ) has been shown to be a good nonradioactive surrogate for pertechnetate in laboratory testing for this ion exchange resin, and the performance bias is well established. Equilibrium contact testing with 7.8 M [Na + ] average simulant concentrations indicated that the SuperLig ® 639 resin average perrhenate distribution coefficient was 368 mL/g at a 100:1 phase ratio. Although this indicates good performance at high ionic strength, an equilibrium test cannot examine the impact of liquid viscosity, which impacts the diffusivity of ions and therefore the loading kinetics. To get an understanding of the effect of diffusivity, modeling was performed, which will be followed up with column tests in the future.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations

The encapsulation and commoditization of electronic structure arise naturally as interoperability, and the use of nontraditional compute resources (e.g., new hardware accelerators, cloud computing) remains important for the computational chemistry community. Here, we present TERACHEM CLOUD, a high-performance computing service (HPCS) that offers on-demand electronic structure calculations on both traditional HPC clusters and cloud-based hardware. The framework is designed using off-the-shelf web technologies and containerization to be extremely scalable and portable. Within the HPCS model, users can quickly develop new methods and algorithms in an interactive environment on their laptop while allowing TERACHEM CLOUD to distribute ab initio calculations across all available resources. This approach greatly increases the accessibility of hardware accelerators such as graphics processing units (GPUs) and flexibility for the development of new methods as additional electronic structure packages are integrated into the framework as alternative backends. Cost-performance analysis indicates that traditional nodes are the most cost-effective long-term solution, but commercial cloud providers offer cutting-edge hardware with competitive rates for short-term large-scale calculations. We demonstrate the power of the TERACHEM CLOUD framework by carrying out several showcase calculations, including the generation of 300,000 density functional theory energy and gradient evaluations on medium-sized organic molecules and reproducing 300 fs of nonadiabatic dynamics on the B800-B850 antenna complex in LH2, with the latter demonstration using over 50 Tesla V100 GPUs in a commercial cloud environment in 8 h for approximately $1250.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A distributed vortex method for computing the vortex field of a missile

Vortex sheet development in the flow field of a missile was investigated by approximating the sheets in the cross-flow plane with short straight-line segments having distributed vorticity. In contrast with the method that represents the sheets as lines of discrete vortices, this distributed vortex method produced calculations with a high degree of computational stability.

Barger, R. L.↗

EINSTEIN-HOME DISCOVERY OF 24 PULSARS IN THE PARKES MULTI-BEAM PULSAR SURVEY

We have conducted a new search for radio pulsars in compact binary systems in the Parkes multi-beam pulsar survey (PMPS) data, employing novel methods to remove the Doppler modulation from binary motion. This has yielded unparalleled sensitivity to pulsars in compact binaries. The required computation time of Almost-Equal-To 17, 000 CPU core years was provided by the distributed volunteer computing project Einstein-Home, which has a sustained computing power of about 1 PFlop s{sup -1}. We discovered 24 new pulsars in our search, 18 of which were isolated pulsars, and 6 were members of binary systems. Despite the wide filterbank channels and relatively slow sampling time of the PMPS data, we found pulsars with very large ratios of dispersion measure (DM) to spin period. Among those is PSR J1748-3009, the millisecond pulsar with the highest known DM ( Almost-Equal-To 420 pc cm{sup -3}). We also discovered PSR J1840-0643, which is in a binary system with an orbital period of 937 days, the fourth largest known. The new pulsar J1750-2536 likely belongs to the rare class of intermediate-mass binary pulsars. Three of the isolated pulsars show long-term nulling or intermittency in their emission, further increasing this growing family. Our discoveries demonstrate the value of distributed volunteer computing for data-driven astronomy and the importance of applying new analysis methods to extensively searched data.

79 ASTRONOMY AND ASTROPHYSICS↗