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Accelerated molecular dynamics force evaluation on graphics processing units for thermal conductivity calculations

COMPUTER PHYSICS COMMUNICATIONS 2013年第5期184卷 1414-1425页

作者： Fan, Zheyong Siro, Topi Harju, Ari Aalto Univ COMP Ctr Excellence Helsinki Finland Aalto Univ Helsinki Inst Phys Dept Appl Phys Helsinki Finland

Thermal conductivity is a very important property of a material both for testing theoretical models and for designing better practical devices such as more efficient thermoelectrics, and accurate and efficient calculations of thermal conductivity are very desirable. In this paper, we develop a highly efficient molecular dynamics code fully implemented on graphics processing units for thermal conductivity calculations using the Green-Kubo formula. We compare two different schemes for force evaluation, a previously used thread-scheme, where a single thread is used for one particle and each thread calculates the total force for the corresponding particle, and a new block-scheme, where a whole block is used for one particle and each thread in the block calculates one or several pair forces between the particle associated with the given block and its neighbor particle(s) associated with the given thread. For both schemes, two different classical potentials, namely, the Lennard-Jones potential and the rigid-ion potential are implemented. While the thread-scheme performs a little better for relatively large systems, the block-scheme performs much better for relatively small systems. The relative performance of the block-scheme over the thread-scheme also increases with the increasing cutoff radius. We validate the implementation by calculating lattice thermal conductivities of solid argon and lead telluride. The efficiency of our code makes it very promising to study thermal conductivity properties of more complicated materials, especially, materials with interesting nanostructures. (C) 2013 Elsevier B.V. All rights reserved.

关键词： Molecular dynamics simulation Green-Kubo formula Thermal conductivity Graphics processing unit CUDA optimized algorithm Performance evaluation

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An optimized algorithm for Task Scheduling Based On Activity Based Costing in Cloud Computing

An Optimized Algorithm for Task Scheduling Based On Activity...

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3rd International Conference on Bioinformatics and Biomedical Engineering

作者： Cao, Qi Wei, Zhi-Bo Gong, Wen-Mao Wuhan Univ Int Sch Software Wuhan 430079 Peoples R China Huazhong Univ Sci & Technol Sch Software Engn Wuhan 430074 Peoples R China

ISBN: (纸本)9781424429011

In cloud computing, traditional way for task scheduling cannot measure the cost of cloud resources accurately by reason that each of the tasks on cloud systems is totally different between each other. There may be no relationship between the overhead application base and the way that different tasks cause overhead costs of resources in cloud systems. The traditional way for task scheduling cannot meet the cloud market well enough. This paper introduces an optimized algorithm for task scheduling based on ABC (Activity Based Costing) in cloud computing and its implementation. Compared with the traditional methods of task scheduling, a new method with an optimized algorithm based on ABC algorithm was proposed in this paper.

关键词： Cloud computing task scheduling activity based costing optimized algorithm

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The Study on Bridge Steel Structure Manufacturing Processes Based on Logistics Equilibrium Method

The Study on Bridge Steel Structure Manufacturing Processes ...

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2012 International Conference on Education Technology and Management Engineering(ETME 2012)

作者： Song Liping China University of Geosciences,Hubei Wuhan,430032

The steel industry is a national development key *** ore information is very important *** steel structure manufacturing internal logistics chain is lack of hybrid *** deficiency,analyzes the mixed ore material in this article,it is many experts think ore mixed as an independent steps,not production is the internal think the combination of the logistics chain steel company material *** view of these questions,logistics balance concept *** new ideas put forward to solve the mixture model,and give a new original ore hybrid optimization ***,the author use computer programs to realize this *** results show that is effective and correct.

关键词： Blending Logistics Equilibrium optimized algorithm

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Research on blending optimized algorithm of WSICO industrial port Based on logistics equilibrium

Research on blending optimized algorithm of WSICO industrial...

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2008 International Seminar on Business and Information Management

作者： Zhou cheng,Zhuhong Zhang Wuhan University of Technology Hubei University of Economics Wuhan,China Peilin Zhang Wuhan University of Technology School of transportation Wuhan,China

The steel and iron industry is the key industry of national *** massive ore are needed in the steelmaking process of the Iron and steel *** of the ore material is an important step in WISCO industrial port's production,but the current research is lack of theoretical achievements about blending *** deficiencies of research on blending the ore material are analyzed in this article,that is many experts regarded ore blending as a independent production step and has not consider that blending is belong to the internal logistics chain of Iron and steel enterprise's material *** view of these questions,the Logistics equilibrium conceptual model is *** a new thought is put forward to solve the blending model,which gives a new way for raw ore blending optimization ***,the author uses the computer program to realize this *** the computed result is proved effective and correct.

关键词： blending logistics equilibrium optimized algorithm WISCO

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Enhanced molecular dynamics performance with a programmable graphics processor

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COMPUTER PHYSICS COMMUNICATIONS 2011年第4期182卷 926-934页

作者： Rapaport, D. C. Bar Ilan Univ Dept Phys IL-52900 Ramat Gan Israel

Design considerations for molecular dynamics algorithms capable of taking advantage of the computational power of a graphics processing unit (CPU) are described. Accommodating the constraints of scalable streaming-multiprocessor hardware necessitates a reformulation of the underlying algorithm. Performance measurements demonstrate the considerable benefit and cost-effectiveness of such an approach. which produces a factor of 2.5 speed improvement over previous work for the case of the soft-sphere potential. (C) 2010 Elsevier B.V. All rights reserved.

关键词： Molecular dynamics simulation Graphics processor GPU CUDA Computer architecture optimized algorithm Performance evaluation

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A review on the economic dispatch and risk management considering wind power in the power market

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RENEWABLE & SUSTAINABLE ENERGY REVIEWS 2009年第8期13卷 2169-2174页

作者： Ren Boqiang Jiang Chuanwen Shanghai Jiao Tong Univ Dept Elect Engn Shanghai 200030 Peoples R China

With the rapid development of world economy, wind power has been given more and more consideration owing to its energy saving and environmental protection. But due to intermittency and unpredictability nature of wind power generation, many new problems come into being when infusing wind power into power network with conventional generators. Aiming at these difficulties, this paper presents a review on the historical research production of this theme. The models of economic dispatch schedule of wind power considering dissimilar actual condition, different optimized algorithms and risk management in the electric market are discussed and the future trend is prospected in this paper. (C) 2009 Elsevier Ltd. All rights reserved.

关键词： Wind power Economic dispatch model Risk management optimized algorithm Electric market

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System Model for the Large Sale Petrochemical Complex

System Model for the Large Sale Petrochemical Complex

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2nd International Conference on Information and Computing Science

作者： Jiang, Yong Yang, Dong-mei Dai, Yu Wang, Dan-dan Lin, Ning Nanjing Univ Sci & Technol Fac Sci Dept Informat & Comp Sci Nanjing Peoples R China Nanjing Normal Univ Fac Math & Comp Nanjing Peoples R China

ISBN: (纸本)9780769536347

The article take the computer as lite auxiliary means, the use linear plan theory to the large-scale petroleum chemical industry combination unit system establishment mathematical simulation model, simulates the entire wrap petroleum chemical industry installment the investment, delivers, describes between each response mathematical logic relations and the inner link, and causes the model reflection production craft characteristic as far as possible, simultaneously produces optimized algorithm solution actual problem and so on planned production, cost accounting.

关键词： Petrifaction combination unit Mathematical simulation modelling optimized algorithm

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Montgomery Exponentiation with no Final Comparisons: Improved Results

Montgomery Exponentiation with no Final Comparisons: Improve...

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Pacific-Asia Conference on Circuits, Communications and Systems

作者： Pu, Qiong Zhao, Xiuying Informat Engn Univ Inst Sci Dept Elect Zhengzhou Henan Peoples R China

ISBN: (纸本)9780769536149

RSA is a strong public-key cryptosystem, which is generally used for authentication protocols. Most proposed implementations of RSA system are based on Montgomery modular algorithm. And thus the optimization of this algorithm is consequently very important. This paper improves the original algorithm with no increase of any computational cost by avoiding the final comparison and makes it more suitable for implementations both in software and hardware. Unlike previous works, our algorithm just omits the final comparison but subtraction.

关键词： RSA Montgomery Modular Multiplication optimized algorithm

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Using particle swarm optimization algorithm in an artificial neural network to forecast the strength of paste filling material

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Journal of China University of Mining and Technology 2008年第4期18卷 551-555页

作者： CHANG Qing-liang ZHOU Hua-qiang HOU Chao-jiong School of Mines China University of Mining ＆ Technology Xuzhou Jiangsu 221008 China

In order to forecast the strength of filling material exactly, the main factors affecting the strength of filling material are analyzed. The model of predicting the strength of filling material was established by applying the theory of artificial neural net- works. Based on cases related to our test data of filling material, the predicted results of the model and measured values are com- pared and analyzed. The results show that the model is feasible and scientifically justified to predict the strength of filling material, which provides a new method for forecasting the strength of filling material for paste filling in coal mines.

关键词： mining engineering paste filling material neural network particle swarm optimized algorithm prediction

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An optimized emergency resources allocation algorithm for large-scale public emergency

An optimized emergency resources allocation algorithm for la...

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6th International Conference on Machine Learning and Cybernetics

作者： Wang, Su-Sheng Wang, Yan Sun, Jian Harbin Inst Technol Shenzhen Grad Sch Shenzhen 518055 Peoples R China Harbin Inst Technol Sch Management Harbin 518055 Peoples R China

ISBN: (纸本)9781424409723

According to the characters of large-scale public emergency response, an optimized algorithm for obtaining optimal emergency allocation scheme is established in order to solve resource collision problem among multiple disaster places and multiple resource suppliers. The holistic optimized scheme of all disaster places can be calculated through adjusting the partial optimal scheme of every disaster place. Finally, a case study is carried on to verify the algorithm validity.

关键词： emergency system resources allocation optimized algorithm

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