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Power profiling and evaluating the effect of frequency scaling on NWChem

Power profiling and evaluating the effect of frequency scali...

24th High Performance Computing Symposium, HPC 2016, Part of the 2016 Spring simulation Multi-Conference, SpringSim 2016

作者： Sundriyal, Vaibhav Windus, Theresa L. Fought, Ellie Sosonkina, Masha ODU Research Foundation Old Dominion University United States Department of Chemistry Iowa State University United States Department of Modeling Simulation and Visualization Engineering Old Dominion University United States

ISBN: (纸本)9781510824256

Modern high-performance computing system designers are becoming increasingly aware of the energy requirements for computing while needing to lower the operational costs and raise reliability. At the same time, high-performance application developers are taking pro-active steps towards less energy consumption without a significant performance loss. One way to accomplish this is to change the processor frequency dynamically during application execution. In this paper, a representative HPC application, NWChem, is considered with the aim to investigate its compute and memory intensiveness along with the energy-saving potential of various stages of execution. This work presents energy consumption characteristics of three different algorithms within NWChem that compute the Møller-Plesset (or many-body) perturbation theory second-order correction (MP2) to the Hartree-Fock energy (HF), which radically differ in their computer resource usages. Power consumption measurements are obtained with the application of dynamic voltage and frequency scaling (DVFS) to both processor and memory to determine the runtime behavior of the three MP2 algorithms. Finally, a frequency scaling strategy is proposed and tested. For a 55-atom system, this strategy yields energy savings of up to 10.1% with a modest performance degradation of 2.4%. © 2016 Society for modeling & simulation International (SCS).

关键词： Energy utilization

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Performance and Energy Evaluation of CoMD on Intel Xeon Phi Co-processors

Performance and Energy Evaluation of CoMD on Intel Xeon Phi ...

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Hardware-Software Co-Design for High Performance Computing (Co-HPC)

作者： Gary Lawson Masha Sosonkina Yuzhong Shen Department of Modeling Simulation and Visualization Engineering Old Dominion University Norfolk VA

Molecular dynamics simulations are used extensively in science and engineering. Co-Design Molecular Dynamics (CoMD) is a proxy application that reflects the workload characteristics of production molecular dynamics software. In particular, CoMD is computationally intensive with 90+% of execution time spent to calculate inter-atomic force potentials. Hence, this application is an ideal candidate for acceleration with the Intel Xeon Phi because it has high theoretical computational performance with low energy consumption. In this work, the kernel computing Embedded Atom model (EAM) forces is adapted to utilize the Intel Xeon Phi acceleration. Performance and energy are measured in the experiments that vary thread affinity, thread count, problem size, node count, and the number of Xeon Phi's per node. Dynamic voltage and frequency scaling (DVFS) is used to reduce host-side power draw during Xeon Phi accelerated phases of the application. Test results are compared against the original (host-only) implementation that uses multithreading, and energy savings as high as 30% are observed.

关键词： Microwave integrated circuits Instruction sets Force Message systems Computational modeling Coprocessors Kernel

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A successful EAC-ABET accredited undergraduate program in modeling and simulation engineering (M&SE) 15

A successful EAC-ABET accredited undergraduate program in mo...

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simulation Winter Conference

作者： Frederic D. McKenzie Roland R. Mielke James F. Leathrum Department of Modeling Simulation and Visualization Engineering Old Dominion University VA USA

ISBN: (纸本)9781467397414

The first undergraduate degree program in modeling and simulation engineering recently was implemented at Old Dominion University. The program awards the Bachelor of Science Degree in modeling and simulation engineering and was designed to meet the ABET accreditation requirements for general engineering programs. This paper describes the design and implementation of a continuous improvement process for the program. The department mission statement and the program educational objectives are presented. The student outcomes are stated and an assessment process for evaluating student achievement is described. Finally, the continuous improvement process for the program is presented. Recommendations from the initial ABET accreditation visit are summarized.

关键词： Portfolios

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Implementation and assessment of a virtual reality experiment in the undergraduate themo-fluids laboratory

Implementation and assessment of a virtual reality experimen...

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119th ASEE Annual Conference and Exposition

作者： Chaturvedi, Sushil K. Yoon, Jaewan McKenzie, Rick Katsioloudis, Petros J. Garcia, Hector M. Ren, Shuo Old Dominion University United States Department of STEM Education and Professional Studies College of Education Old Dominion University United States Old Dominion University's Virginia Modeling Analysis and Simulation Center United States Modeling Simulation and Visualization Engineering Old Dominion University United States

ISBN: (纸本)9780878232413

Results are presented from an NSF supported project that is geared towards advancing the development and use of virtual reality (VR) laboratories, designed to emulate the learning environment of physical laboratories. As part of this project, an experiment in the undergraduate thermo-fluids laboratory course titled "Jet Impact Force" was transformed into a 3-D virtual reality experiment using the widely used MAYAR and VIRTOOLS R software. In order to facilitate students' interactions with the newly created 3-D interactive, immersive and stereoscopic virtual laboratory environment, the human computer interfaces (HCI) were programmed and incorporated in the simulation software. Two immersion levels were included in the VR experiment to assess their impact on student learning. The first one namely the desktop virtual reality (DTVR) used a computer and a 3-D TV for display while the CAVE virtual reality (CVR) employed a computer in conjunction with a three-wall CAVE (acronym for Cave Automatic Virtual Environment) for visualizing the simulation. The above said VR experiment was embedded in the thermo-fluids laboratory course in the mechanical engineering curriculum at Old Dominion University (ODU) so that it could be used in the supplementation mode for the pre-lab practice sessions prior to the physical experiment sessions. To test the efficacy of this supplementation pedagogy for enhancement of student learning, both quantitative (quiz) as well as qualitative (direct observation and student survey) assessment instruments were used. Of the three objectives set for this study two, namely the development and implementation of VR experiment and the assessment of impact of immersion levels on student learning were fully achieved. Assessment results also showed that the "CVR" module resulted in a higher level of student learning when compared with the "DTVR" module. The third objective, namely the assessment of the VR experiment in enhancing student learning in the suppleme

关键词： Virtual reality

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Proposed unified discrete event simulation content roadmap for M&S curricula 17

Proposed unified discrete event simulation content roadmap f...

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simulation Winter Conference

作者： James F. Leathrum Roland R. Mielke Andrew J. Collins Michel A. Audette Department of Modeling Simulation and Visualization Engineering Old Dominion University Norfolk VA USA

ISBN: (纸本)9781538634271

This paper presents a new educational roadmap for teaching discrete event system (DES) simulation software design. This roadmap represents the hierarchical structure and inter-relationships characterizing the worldviews of DES simulation, namely, event scheduling and process interaction. The roadmap was developed from the authors' experience while teaching DES simulation to both undergraduate and graduate students, spanning several years. The roadmap's development was motivated by the need to strive for greater completeness as well as fewer inconsistencies in the material curriculum. The commonality between the worldviews is highlighted in striving for a uniform approach. The intent of this paper is to provide other educators a foundation for their own DES simulation course development. A simple example is used to illustrate the worldviews within the roadmap.

关键词： Software Markov processes Petri nets Flowcharts Algorithms

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Mesh color sharpening using Laplace-Beltrami operator

Mesh color sharpening using Laplace-Beltrami operator

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IEEE Global Conference on Signal and Information Processing (GlobalSIP)

作者： Zinat Afrose Yuzhong Shen Department of Modeling Simulation and Visualization Engineering Old Dominion University Norfolk Virginia USA

ISBN: (纸本)9781479970896

This paper presents a new method for mesh color sharpening using the discrete Laplace-Beltrami operator, which is an approximation of second order derivatives on irregular 3D meshes. The one-ring neighborhood is utilized to compute the Laplace-Beltrami operator. The color for each vertex is updated by adding the Laplace-Beltrami operator of the vertex color weighted by a factor to its original value. Different discretizations of the Laplace-Beltrami operator have been proposed for geometrical processing of 3D meshes. This paper utilizes several discretizations of the Laplace-Beltrami operator for sharpening 3D mesh colors and compares their performance. Experimental results demonstrated the effectiveness of the proposed algorithms.

关键词： Color Three-dimensional displays Image color analysis Computational modeling Laplace equations visualization Solid modeling

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Maritime transport chain choice by carriers, ports and shippers

Maritime transport chain choice by carriers, ports and shipp...

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作者： Talley, Wayne K. Ng, Manwo Maritime Institute Frederick W. Beazley of Economics Old Dominion University Norfolk VA 23529 United States Department of Modeling Simulation and Visualization Engineering Department of Civil and Environmental Engineering Old Dominion University Norfolk VA 23529 United States

A maritime transport chain is a network over which carriers, ports and shippers are involved in the movement of cargo. This paper formally deduces that the port choice literature is included in the maritime transport chain choice literature. Specifically, it demonstrates that determinants of the port choice by shipping lines and shippers found in the literature and determinants of shipping line and shipper choice by ports are also determinants of maritime transport chain choice. Further, a maritime transport chain is formalized as an equilibrium model. Existence and uniqueness results for the proposed maritime transport chain model are derived. © 2012 Elsevier B.V.

关键词： Chains

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EVALUATING EFFECTS OF APPLICATION BASED AND AUTOMATIC ENERGY SAVING STRATEGIES ON NWCHEM 17

EVALUATING EFFECTS OF APPLICATION BASED AND AUTOMATIC ENERGY...

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simulation Multiconference

作者： Vaibhav Sundriyal Masha Sosonkina Ellie Fought Theresa L. Windus Department of Modeling Simulation and Visualization Engineering Old Dominion University Department of Chemistry Iowa State University

ISBN: (纸本)9781510838222

High-performance application developers are becoming increasingly aware of effects of the increasing energy consumption on the costs and reliability of modern computing systems. A traditional way to achieve energy savings is by changing the processor frequency dynamically during application execution. Several techniques have been proposed in the past at application, library, and transparent level. In this work, the effect of two such techniques, at application and transparent levels, are evaluated in terms of their effects on the execution time and energy consumption for different algorithms in the quantum chemistry package NWChem. Experimental results depict that there is no clear winner between the two methods since the transparent-level makes decisions without intimate knowledge of the application while the strategy based solely on application does not take into the account the platform characteristics at the runtime. Hence, it is argued that the best strategy would be a hybrid of the two levels.

关键词： DVFS Energy Power NWChem Oversubscription energy saving Energy sources Platform Characteristics energy consumption execution time AUTOMATIC Power (Psychology) Hyalin

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A Lane-based Predictive Model of Downstream Arrival Rates in a Queue Estimation Model Using a Long Short-Term Memory Network

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Transportation Research Procedia 2018年 34卷 163-170页

作者： Seunghyeon Lee Kun Xie Dong Ngoduy Mehdi Keyvan-Ekbatani Hong Yang Department of Civil and Natural Reources Engineering University of Canterbury Christchurch New Zealand Department of Modeling Simulation & Visualization Engineering Old Dominion University Norfolk USA

In this study, we develop a mathematical framework to predict cycle-based queued vehicles at each individual lane using a deep learning method – the long short-term memory (LSTM) network. The key challenges are to decide the existence of residual queued vehicles at the end of each cycle, and to predict the lane-based downstream arrivals to calculate vertical queue lengths at individual lanes using an integrated deep learning method. The primary contribution of the proposed method is to enhance the predictive accuracy of lane-based queue lengths in the future cycles using the historical queuing patterns. A major advantage of implementing an integrated deep learning process compared to the previously Kalman-filter-based queue estimation approach (Lee et al., 2015) is that there is no need to calibrate the co-variance matrix and tune the gain values (parameters) of the estimator. In the simulation results, the proposed method perform better in only straight movements and a shared lane with left turning movements.

关键词： Type your keywords here separated by semicolons

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modeling of renewable and non-renewable energy resources and their long-term effects on CO2 Emissions in Colorado

Modeling of renewable and non-renewable energy resources and...

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IIE Annual Conference and Expo 2014

作者： Basar, Gulsevi Bedoya-Valencia, Leonardo Modeling Simulation and Visualization Department Old Dominion University Kaufman Hall 115 NorfolkVA23529 United States Department of Engineering Colorado State University - Pueblo 2200 Bonforte Blvd. PuebloCO81001 United States

ISBN: (纸本)9780983762430

Colorado is generating its electricity mostly from coal, the most inexpensive electricity generation resource, and natural gas since the state has rich and vast reserves in a regulated electricity market. However, these resources are affecting environmental sustainability in a negative way. Due to the rich renewable energy profile of the state along with the recent state legislation which forces investor owned electricity utilities to produce at least 30% out of renewables by 2020, investors face the problem of how to make investments and how these investments affect the CO2 emissions. In this study, an electricity market model for the state of Colorado is developed in order to analyze the investment decision dynamics and effects on long-term CO2 emissions in the state.

关键词： Renewable energy resources

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