基于openfoam框架的分子动力学负载均衡关键技术研究

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1、ResearchonMolecularDynamicsLoadBalancingKeyTechnologyBasedonOpenFOAMCandidate:WuYunlongAdvisor:ProfessorYangXuejunAdissertationSubmittedinpartialfulfillmentoftherequirementsforthedegreeofMasterofEngineeringinComputerScienceandTechnologyGraduateSchoolo

2、fNationalUniversityofDefenseTechnologyChangsha,Hunan,P.R.ChinaNovember8,2013万方数据万方数据国防科学技术大学研究生院硕士学位论文目录摘要........................................................................................................................iABSTRACT................

3、...............................................................................................iii第一章绪论............................................................................................................11.1课题研究背景..............................

4、.............................................................21.1.1分子动力学模拟的应用现状........................................................21.1.2高性能计算机为分子动力学模拟带来的机遇............................41.1.3并行分子动力学模拟中的负载均衡问题....................................51.2

5、相关研究工作...........................................................................................61.3研究内容...................................................................................................71.3.1OpenFOAM中分子动力学负载均衡功能设计...................

6、........71.3.2面向并行分子动力学模拟的静动态负载均衡方法....................81.4主要创新...................................................................................................81.5论文结构.................................................................................

7、..................9第二章OpenFOAM中分子动力学模型及负载均衡功能设计...........................112.1并行分子动力学计算流程.......................................................................112.1.1并行分解方法.............................................................................

8、...122.1.2力场模型及计算方法....................................................................152.1.3牛顿运动方程的数值解法............................................................162.2OpenFOAM中的分子动力学模型框架..................................................172.