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At least 271 records · Page 15

All sources NASA NTRS DOE OSTI

DOE OSTI2011

Evaluating the Potential of Cray Gemini Interconnect for PGAS Communication Runtime Systems

The Cray Gemini Interconnect has been recently introduced as the next generation network for building scalable multi-petascale supercomputers. The Cray XE6 systems, which use the Gemini Interconnect are becoming available with Message Passing Interface (MPI) and Partitioned Global Address Space (PGAS) Models such as as Global Arrays, Unified Parallel C, Co-Array Fortran and Cascade High Performance Language. These PGAS models use one-sided communication runtime systems such as MPI-Remote Memory Access, Aggregate Remote Memory Copy Interface and proprietary communication runtime systems. The primary objective of our work is to study the potential of Cray Gemini Interconnect by designing application specific micro-benchmarks using the DMAPP userspace library provided by the Gemini Interconnect. To meet this objective, we design micro-benchmarks to study the performance of simple communication primitives and application specific micro-benchmarks to understand the behavior of Gemini Interconnect at scale. In our experiments, the Gemini Interconnect can achieve a peak bandwidth of 6911 MB/s and a latency of 1us for get communication primitive. Scalability tests for atomic memory operations and shift communication operation up to 65536 processes shows the efficacy of the Gemini Interconnect.

Vishnu, Abhinav↗

DOE OSTI2011

Simulation-based Performance Analysis and Tuning for a Two-level Directly Connected System

Hardware and software co-design is becoming increasingly important due to complexities in supercomputing architectures. Simulating applications before there is access to the real hardware can assist machine architects in making better design decisions that can optimize application performance. At the same time, the application and runtime can be optimized and tuned beforehand. BigSim is a simulation-based performance prediction framework designed for these purposes. It can be used to perform packet-level network simulations of parallel applications using existing parallel machines. In this paper, we demonstrate the utility of BigSim in analyzing and optimizing parallel application performance for future systems based on the PERCS network. We present simulation studies using benchmarks and real applications expected to run on future supercomputers. Future petascale systems will have more than 100,000 cores, and we present simulations at that scale.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1986

Global-local methodologies and their application to nonlinear analysis

An assessment is made of the potential of different global-local analysis strategies for predicting the nonlinear and postbuckling responses of structures. Two postbuckling problems of composite panels are used as benchmarks and the application of different global-local methodologies to these benchmarks is outlined. The key elements of each of the global-local strategies are discussed and future research areas needed to realize the full potential of global-local methodologies are identified.

Noor, Ahmed K.↗

NASA NTRS1989

Global-local methodologies and their application to nonlinear analysis

Noor, Ahmed K.↗

DOE OSTI2021

Benchmarking numerical methods for impact and cratering applications

Large scale computational models are important for studying impact cratering events that are prevalent both on Earth and, more broadly, in this solar system. To address these problems, models must reliably account for both large length scales (e.g., kilometers) and relatively long time scales (hundreds of seconds). This work benchmarks two such approaches, a more traditional hydrodynamics approach and a finite-discrete element method (FDEM), for impact cratering applications. Both 2D and 3D results are discussed for two different impact velocities, 5 km/s and 20 km/s, striking normal to the target and, for 3D simulations, 45° from vertical. In addition, comparisons to previously published data are presented. Finally, differences in how these methods model damage are discussed. Ultimately, both approaches show successful modeling of several different impact scenarios.

58 GEOSCIENCES↗

DOE OSTI2016

Verification and Validation of CFD Simulations involving Twin Rectangular Jets using Steady RANS in Star-CCM+

Analyses such as component design and safety analysis can be conducted through careful application of computational fluid dynamics (CFD) codes. Before these codes can be considered ready for specific analysis, benchmarking (validation) against applicable datasets is needed. The twin jet water facility (TJWF) developed originally at the University of Tennessee, Knoxville has been purposed for aiding in this type of work. The TJWF allows for large data sets to be created using state of the art non-invasive measurement techniques within a mostly transparent testing volume. Utilizing velocity data collected in the TJWF by Wang et. al., the Star-CCM+ code was benchmarked a using steady Reynolds averaged Navier Stokes (RANS) framework for a combining two jet case. Careful efforts to properly conduct verification of the numerical work was undertaken with a sample reported in this summary. The computational results were validated against the experimental work and found to be within acceptable limits. The parameters of interest were the merging and combining points (MP and CP) of the twin jets, and the velocity profiles at increasing heights after injection. Fig.1 provides a graphical depiction of the twin jets combining within a free shear volume with key geometric factors included. The MP and velocity profiles were predicted with reasonable agreement. Whereas, the combining point of the twin jets was found to be over-predicted by {approx}24% difference. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Computational Offload with BlueField Smart NICs

The recent introduction of a new generation of "smart NICs" have provided new accelerator platforms that include CPU cores or reconfigurable fabric in addition to traditional networking hardware and packet offloading capabilities. While there are currently several proposals for using these smartNICs for low-latency, in-line packet processing operations, there remains a gap in knowledge as to how they might be used as computational accelerators for traditional high-performance applications. This work aims to look at benchmarks and mini-applications to evaluate possible benefits of using a smartNIC as a compute accelerator for HPC applications. We investigate NVIDIA's current-generation BlueField-2 card, which includes eight Arm CPUs along with a small amount of storage, and we test the networking and data movement performance of these cards compared to a standard Intel server host. We then detail how two different applications, YASK and miniMD can be modified to make more efficient use of the BlueField-2 device with a focus on overlapping computation and communication for operations like neighbor building and halo exchanges. Our results show that while the overall compute performance of these devices is limited, using them with a modified miniMD algorithm allows for potential speedups of 5 to 20% over the host CPU baseline with no loss in simulation accuracy.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2011

Application Areas of Potential Challenge to Nuclear Criticality Safety Margins for Future High Temperature Gas Reactor Fuel Cycle Activities

Fuel cycle activities for future high temperature gas reactors (HTGRs) will involve uranium enrichments and fissile material configurations that differ significantly from those of current light water reactor (LWR) fuel cycle activities. LWR fuel cycle activities are supported by a wealth of applicable critical experiment benchmarks that allow margins of subcriticality to be well-defined. In contrast, few critical experiments are clearly applicable to several portions of the HTGR fuel cycle. This work identifies HTGR fuel cycle activities presenting potential concern for reliable demonstration of an adequate margin of subcriticality. Recommendations are developed to address these areas of concern.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2019

L3:RTM.MCH.P19.06: Neutronics UQ

This report summarizes some of the work performed in the last year on the nuclear data uncertainty tasks using the multipole representation. This approach was proposed to provide a simple and integrated way of evaluating the nuclear data uncertainty in a Monte Carlo simulation and evaluating their impact on multigroup cross sections. As previously described, the windowed multipole format allows for a resonance based representation of the cross sections with direct Doppler broadening. This representation also lends itself nicely to the evaluation of sensitivities of resonance parameters and the direct perturbation of resonance parameters in the simulation environment. Both of these approaches rely on the need of conversion of the covariance data (File 32 of the ENDF library) into a pole and residues form: i.e. into a multipole covariance. Section 5 details the current pathways that have been used so far to achieve this. In order to verify the conversion process of the covariance data, the sensitivies to the resonance parameters and the sampling from these parameters, an analytical benchmark of the slowing process was developed. The benchmark provides a closed-form solution for the flux in the presence of Hydrogen and multiple resonant nuclides. Section 2 details the analytical benchmark and provides the closed-form solutions for the flux and its sensitivity to resonance parameters. A verification of the proposed methodology is performed and compared with the analytic solution to demonstrate the accuracy of the benchmark and the applicability of our embedded resonance perturbation approach in a small Monte Carlo code. Papers are currently being drafted documenting the benchmark and the generation of sensitivities. As paths to best generate multipole covariance matrices are being compared, we also explored new methods to propagate nuclear data uncertainty across the Monte Carlo neutron transport calculation. Section 4 studies the use of multipole covariance matrices to perform sensitivity analysis. Section 3.2 documents the results of our investigations into a new way of propagating nuclear data uncertainty across Monte Carlo transport simulations by sampling new epistemic cross sections for each new neutron.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1996

Modeling the Benchmark Active Control Technology Wind-Tunnel Model for Application to Flutter Suppression

This paper describes the formulation of a model of the dynamic behavior of the Benchmark Active Controls Technology (BACT) wind-tunnel model for application to design and analysis of flutter suppression controllers. The model is formed by combining the equations of motion for the BACT wind-tunnel model with actuator models and a model of wind-tunnel turbulence. The primary focus of this paper is the development of the equations of motion from first principles using Lagrange's equations and the principle of virtual work. A numerical form of the model is generated using values for parameters obtained from both experiment and analysis. A unique aspect of the BACT wind-tunnel model is that it has upper- and lower-surface spoilers for active control. Comparisons with experimental frequency responses and other data show excellent agreement and suggest that simple coefficient-based aerodynamics are sufficient to accurately characterize the aeroelastic response of the BACT wind-tunnel model. The equations of motion developed herein have been used to assist the design and analysis of a number of flutter suppression controllers that have been successfully implemented.

Waszak, Martin R.↗

DOE OSTI2022

Analytical benchmark solution for 1-D neutron transport coupled with thermal conduction and material expansion

In this work we present fully analytical solutions for a class of finite, homogeneous, 1-D slab benchmark problems with nonlinear temperature feedback effects. The proposed class of benchmarks include multiplicative 1-D neutron transport (limited to quasistatic S{sub 2} with μ = ±1) coupled with thermal conduction, convection, Doppler broadening, and expansion effects along the length of the slab. This class of benchmark models, along with the corresponding analytical solutions, are valuable for validating multiphysics analysis frameworks that support coupled neutronics/thermal/structural calculations. Analytical solutions for the benchmarks are obtained by introducing an ansatz that the equilibrium flux and temperature distributions in the slab have the same shape. Specific values for the total microscopic cross section, σ{sub t,0}, and conductive heat transfer coefficient, h, that satisfy the assumed ansatz are then determined. A discussion of the procedure for generating benchmark models and analytical solutions is provided, along with numerical results for an example set of model parameters and thoughts on practical applications of the benchmarks for multiphysics code validation. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Charged point defect benchmark of Hybrid and GGA-PBE

Data used by the publication "High-throughput calculations of charged point defect properties with semi-local density functional theory - performance benchmarks for materials screening applications." This work presented an in-depth benchmark analysis of automated, semi-local point defect calculations with a-posteriori corrections, compared to 245 “gold standard” hybrid calculations previously published. We considered three different a-posteriori correction sets for semi-local calculations, implemented in a fully automated workflow, and consider the qualitative and quantitative differences for four different categories of defect information: thermodynamic transition levels, formation energies, fermi levels, and dopability limits. We highlighted the type of qualitative information about point defect properties that can be extracted from high-throughput calculations based on semi-local DFT methods, while also demonstrating the limits of quantitative accuracy that can be achieved by these approaches.

Broberg, Danny↗

NASA NTRS2022

A Benchmark Example for Delamination Propagation Predictions Based on the Calibrated End-Loaded Split Specimen

A benchmark example based on the Calibrated End-Loaded Split (C-ELS) specimen is developed and used to assess the performance of recently developed delamination propagation capabilities in the Abaqus/Standard finite element code. The C-ELS specimen has the advantage of a longer region of stable delamination propagation compared to the existing mode II benchmark case. The new benchmark example may therefore provide a better assessment tool by enabling more stable crack growth in regions further away from the boundary conditions or load application. First, a benchmark result is created manually using two-dimensional finite element models of the C-ELS specimen with different delamination lengths. Second, the performance of the delamination propagation capabilities in the Abaqus/Standard finite element code are assessed by comparing the results to the benchmark case. Two examples with different starter delamination lengths are studied. A shorter starter length is chosen to create a scenario with unstable delamination propagation. A longer delamination causes stable delamination propagation. Detailed results from three-dimensional analyses with aligned and mis-aligned meshes and two levels of mesh refinement are provided for several permutations of numerical input parameters. In general, good agreement can be achieved between the results obtained from the quasi-static propagation analysis and the benchmark analysis. However, particular non-default settings are found to be most reliable, accurate, and numerically efficient. Numerical artifacts including anomalous unreleased nodes in the crack wake and zig-zag crack fronts occur, and further development of the Abaqus/Standard VCCT propagation may be required. Use of the benchmark case to assess the continuous improvements in one finite element code illustrates the value of establishing benchmark solutions.

delamination↗

NASA NTRSDate not supplied

Development of a C-ELS Specimen-Based Numerical Benchmark for Mode II Delamination and Assessment of Two VCCT-Based Propagation Strategies

A finite element (FE) benchmark example inspired by the calibrated end-loaded split (C-ELS) specimen is developed and used to assess the performance of delamination propagation capabilities based on linear elastic fracture mechanics (LEFM). The C-ELS specimen has the advantage of a longer region of stable delamination propagation compared to the existing mode II benchmark case. The new benchmark example may therefore provide a better assessment tool by enabling more stable crack growth in regions further away from the boundary conditions or load application. First, a benchmark result is created manually using two-dimensional finite element models of the C-ELS specimen with different delamination lengths. Second, the performance of the virtual crack closure technique (VCCT) delamination propagation capabilities in the Abaqus/Standard®1 FE code and the recently developed Progressive Release eXplicit-VCCT (PRX-VCCT) method are assessed by comparing the results to the benchmark case. Two examples with different starter delamination lengths are studied. A shorter starter length is chosen to create a scenario with unstable delamination propagation. A longer delamination encourages stable delamination propagation. Detailed results from three-dimensional analyses with aligned and misaligned meshes and two levels of mesh refinement are provided. In general, good agreement can be achieved between the results obtained from the quasi-static propagation analysis and the benchmark analysis. Numerical artifacts including anomalous unreleased nodes in the crack wake and zig-zag crack fronts occur for propagation analyses using Abaqus/Standard VCCT. In comparison, continuous, smooth, delamination fronts are observed for PRX-VCCT. The use of the benchmark case to assess different VCCT-based propagation strategies illustrates the value of establishing benchmark cases.

Composite Materials↗

NASA NTRS2012

An Application-Based Performance Evaluation of NASAs Nebula Cloud Computing Platform

The high performance computing (HPC) community has shown tremendous interest in exploring cloud computing as it promises high potential. In this paper, we examine the feasibility, performance, and scalability of production quality scientific and engineering applications of interest to NASA on NASA's cloud computing platform, called Nebula, hosted at Ames Research Center. This work represents the comprehensive evaluation of Nebula using NUTTCP, HPCC, NPB, I/O, and MPI function benchmarks as well as four applications representative of the NASA HPC workload. Specifically, we compare Nebula performance on some of these benchmarks and applications to that of NASA s Pleiades supercomputer, a traditional HPC system. We also investigate the impact of virtIO and jumbo frames on interconnect performance. Overall results indicate that on Nebula (i) virtIO and jumbo frames improve network bandwidth by a factor of 5x, (ii) there is a significant virtualization layer overhead of about 10% to 25%, (iii) write performance is lower by a factor of 25x, (iv) latency for short MPI messages is very high, and (v) overall performance is 15% to 48% lower than that on Pleiades for NASA HPC applications. We also comment on the usability of the cloud platform.

Saini, Subhash↗

NASA NTRS1995

RISC Processors and High Performance Computing

This tutorial will discuss the top five RISC microprocessors and the parallel systems in which they are used. It will provide a unique cross-machine comparison not available elsewhere. The effective performance of these processors will be compared by citing standard benchmarks in the context of real applications. The latest NAS Parallel Benchmarks, both absolute performance and performance per dollar, will be listed. The next generation of the NPB will be described. The tutorial will conclude with a discussion of future directions in the field. Technology Transfer Considerations: All of these computer systems are commercially available internationally. Information about these processors is available in the public domain, mostly from the vendors themselves. The NAS Parallel Benchmarks and their results have been previously approved numerous times for public release, beginning back in 1991.

Bailey, David H.↗

DOE OSTI2021

Pre-conditioned BFGS-based uncertainty quantification in elastic full-waveform inversion

SUMMARY Full-waveform inversion has become an essential technique for mapping geophysical subsurface structures. However, proper uncertainty quantification is often lacking in current applications. In theory, uncertainty quantification is related to the inverse Hessian (or the posterior covariance matrix). Even for common geophysical inverse problems its calculation is beyond the computational and storage capacities of the largest high-performance computing systems. In this study, we amend the Broyden–Fletcher–Goldfarb–Shanno (BFGS) algorithm to perform uncertainty quantification for large-scale applications. For seismic inverse problems, the limited-memory BFGS (L-BFGS) method prevails as the most efficient quasi-Newton method. We aim to augment it further to obtain an approximate inverse Hessian for uncertainty quantification in FWI. To facilitate retrieval of the inverse Hessian, we combine BFGS (essentially a full-history L-BFGS) with randomized singular value decomposition to determine a low-rank approximation of the inverse Hessian. Setting the rank number equal to the number of iterations makes this solution efficient and memory-affordable even for large-scale problems. Furthermore, based on the Gauss–Newton method, we formulate different initial, diagonal Hessian matrices as pre-conditioners for the inverse scheme and compare their performances in elastic FWI applications. We highlight our approach with the elastic Marmousi benchmark model, demonstrating the applicability of pre-conditioned BFGS for large-scale FWI and uncertainty quantification.

58 GEOSCIENCES↗

DOE OSTI2014

Automatic Identification of Application I/O Signatures from Noisy Server-Side Traces

Competing workloads on a shared storage system cause I/O resource contention and application performance vagaries. This problem is already evident in today s HPC storage systems and is likely to become acute at exascale. We need more interaction between application I/O requirements and system software tools to help alleviate the I/O bottleneck, moving towards I/O-aware job scheduling. However, this requires rich techniques to capture application I/O characteristics, which remain evasive in production systems. Traditionally, I/O characteristics have been obtained using client-side tracing tools, with drawbacks such as non-trivial instrumentation/development costs, large trace traffic, and inconsistent adoption. We present a novel approach, I/O Signature Identifier (IOSI), to characterize the I/O behavior of data-intensive applications. IOSI extracts signatures from noisy, zero-overhead server-side I/O throughput logs that are already collected on today s supercomputers, without interfering with the compiling/execution of applications. We evaluated IOSI using the Spider storage system at Oak Ridge National Laboratory, the S3D turbulence application (running on 18,000 Titan nodes), and benchmark-based pseudo-applications. Through our ex- periments we confirmed that IOSI effectively extracts an application s I/O signature despite significant server-side noise. Compared to client-side tracing tools, IOSI is transparent, interface-agnostic, and incurs no overhead. Compared to alternative data alignment techniques (e.g., dynamic time warping), it offers higher signature accuracy and shorter processing time.

Liu, Yang↗