Introduction to Computational Modeling Using C and Open-Source Tools

463 Pages·2013·8.065 MB·English

by  Garrido, J.M.

INTRODUCTION TO
COMPUTATIONAL
MODELING USING C AND
OPEN-SOURCE TOOLS
José M. Garrido
Kennesaw State University
Kennesaw Georgia, USA
K22074_FM.indd 1 10/4/13 11:37 AM
Chapman & Hall/CRC
Computational Science Series
SERIES EDITOR
Horst Simon
Deputy Director
Lawrence Berkeley National Laboratory
Berkeley, California, U.S.A.
PUBLISHED TITLES
COMBINATORIAL SCIENTIFIC COMPUTING
Edited by Uwe Naumann and Olaf Schenk
CONTEMPORARY HIGH PERFORMANCE COMPUTING: FROM PETASCALE
TOWARD EXASCALE
Edited by Jeffrey S. Vetter
DATA-INTENSIVE SCIENCE
Edited by Terence Critchlow and Kerstin Kleese van Dam
PETASCALE COMPUTING: ALGORITHMS AND APPLICATIONS
Edited by David A. Bader
FUNDAMENTALS OF MULTICORE SOFTWARE DEVELOPMENT
Edited by Victor Pankratius, Ali-Reza Adl-Tabatabai, and Walter Tichy
GRID COMPUTING: TECHNIQUES AND APPLICATIONS
Barry Wilkinson
HIGH PERFORMANCE COMPUTING: PROGRAMMING AND APPLICATIONS
John Levesque with Gene Wagenbreth
HIGH PERFORMANCE VISUALIZATION:
ENABLING EXTREME-SCALE SCIENTIFIC INSIGHT
Edited by E. Wes Bethel, Hank Childs, and Charles Hansen
INTRODUCTION TO COMPUTATIONAL MODELING USING C AND
OPEN-SOURCE TOOLS
José M Garrido
INTRODUCTION TO CONCURRENCY IN PROGRAMMING LANGUAGES
Matthew J. Sottile, Timothy G. Mattson, and Craig E Rasmussen
INTRODUCTION TO ELEMENTARY COMPUTATIONAL MODELING: ESSENTIAL
CONCEPTS, PRINCIPLES, AND PROBLEM SOLVING
José M. Garrido
INTRODUCTION TO HIGH PERFORMANCE COMPUTING FOR SCIENTISTS
AND ENGINEERS
Georg Hager and Gerhard Wellein
K22074_FM.indd 2 10/4/13 11:37 AM
PUBLISHED TITLES CONTINUED
INTRODUCTION TO REVERSIBLE COMPUTING
Kalyan S. Perumalla
INTRODUCTION TO SCHEDULING
Yves Robert and Frédéric Vivien
INTRODUCTION TO THE SIMULATION OF DYNAMICS USING SIMULINK®
Michael A. Gray
PEER-TO-PEER COMPUTING: APPLICATIONS, ARCHITECTURE, PROTOCOLS,
AND CHALLENGES
Yu-Kwong Ricky Kwok
PERFORMANCE TUNING OF SCIENTIFIC APPLICATIONS
Edited by David Bailey, Robert Lucas, and Samuel Williams
PROCESS ALGEBRA FOR PARALLEL AND DISTRIBUTED PROCESSING
Edited by Michael Alexander and William Gardner
SCIENTIFIC DATA MANAGEMENT: CHALLENGES, TECHNOLOGY, AND DEPLOYMENT
Edited by Arie Shoshani and Doron Rotem
K22074_FM.indd 3 10/4/13 11:37 AM
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Contents
ListofFigures xvii
ListofTables xxi
Preface xxiii
AbouttheAuthor xxv
Chapter1 ProblemSolvingandComputing 1
1.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1
1.2 ComputerProblemSolving . . . . . . . . . . . . . . . . . . . . . 1
1.3 ElementaryConcepts . . . . . . . . . . . . . . . . . . . . . . . . . 2
1.4 DevelopingComputationalModels . . . . . . . . . . . . . . . . . 4
1.5 ASimpleProblem:TemperatureConversion . . . . . . . . . . . . 6
1.5.1 InitialProblemStatement . . . . . . . . . . . . . . . . . . 6
1.5.2 AnalysisandConceptualModel . . . . . . . . . . . . . . . 7
1.5.3 MathematicalModel . . . . . . . . . . . . . . . . . . . . . 7
1.6 CategoriesofComputationalModels . . . . . . . . . . . . . . . . 8
1.7 ComputingtheAreaandCircumferenceofaCircle . . . . . . . . . 10
1.8 GeneralProcessofSoftwareDevelopment . . . . . . . . . . . . . 11
1.9 ProgrammingLanguages . . . . . . . . . . . . . . . . . . . . . . . 12
1.9.1 High-LevelProgrammingLanguages . . . . . . . . . . . . 12
1.9.2 Interpreters . . . . . . . . . . . . . . . . . . . . . . . . . . 13
1.9.3 Compilers . . . . . . . . . . . . . . . . . . . . . . . . . . . 13
1.9.4 CompilingandExecutionofJavaPrograms . . . . . . . . . 13
1.9.5 CompilingandExecutingCPrograms . . . . . . . . . . . . 14
Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15
Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16
Chapter2 Programs 17
2.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17
2.2 Programs . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17
2.3 DataDefinitions . . . . . . . . . . . . . . . . . . . . . . . . . . . 18
2.3.1 NameofDataItems . . . . . . . . . . . . . . . . . . . . . 18
2.3.2 DataTypes . . . . . . . . . . . . . . . . . . . . . . . . . . 19
2.3.3 DataDeclarationsinC . . . . . . . . . . . . . . . . . . . . 19
v
vi
2.4 StructureofaCProgram . . . . . . . . . . . . . . . . . . . . . . . 20
2.5 Instructions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21
2.6 SimpleFunctions . . . . . . . . . . . . . . . . . . . . . . . . . . . 22
2.6.1 FunctionDefinitions . . . . . . . . . . . . . . . . . . . . . 22
2.6.2 FunctionCalls . . . . . . . . . . . . . . . . . . . . . . . . 23
2.7 ASimpleCProgram . . . . . . . . . . . . . . . . . . . . . . . . . 24
2.8 ASimpleProblem:TemperatureConversion . . . . . . . . . . . . 25
2.8.1 MathematicalModel . . . . . . . . . . . . . . . . . . . . . 25
2.8.2 ComputationalModel . . . . . . . . . . . . . . . . . . . . 26
Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27
Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28
Chapter3 ModularDecomposition:Functions 29
3.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29
3.2 ModularDecomposition . . . . . . . . . . . . . . . . . . . . . . . 29
3.3 DefiningFunctions . . . . . . . . . . . . . . . . . . . . . . . . . . 30
3.4 CallingFunctions . . . . . . . . . . . . . . . . . . . . . . . . . . . 31
3.5 ClassificationofFunctions . . . . . . . . . . . . . . . . . . . . . . 31
3.5.1 SimpleFunctionCalls . . . . . . . . . . . . . . . . . . . . 31
3.5.2 CallingFunctionsthatReturnData . . . . . . . . . . . . . 31
3.5.3 CallingFunctionswithArguments . . . . . . . . . . . . . . 33
3.6 NumericalTypes . . . . . . . . . . . . . . . . . . . . . . . . . . . 35
3.6.1 IntegerNumbers . . . . . . . . . . . . . . . . . . . . . . . 35
3.6.2 NumberswithDecimalPoints . . . . . . . . . . . . . . . . 36
3.7 Built-inMathematicalFunctions . . . . . . . . . . . . . . . . . . . 37
Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39
Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40
Chapter4 MoreConceptsofComputationalModels 41
4.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 41
4.2 IntroductiontoErrorsinComputing . . . . . . . . . . . . . . . . . 41
4.2.1 NumberRepresentation . . . . . . . . . . . . . . . . . . . 41
4.2.2 NumberofSignificantDigits . . . . . . . . . . . . . . . . . 42
4.2.3 PrecisionandAccuracy. . . . . . . . . . . . . . . . . . . . 42
4.2.4 Errors . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43
4.3 AverageandInstantaneousRateofChange . . . . . . . . . . . . . 44
4.4 TheFree-fallingObject . . . . . . . . . . . . . . . . . . . . . . . . 47
4.4.1 InitialProblemStatement . . . . . . . . . . . . . . . . . . 47
4.4.2 AnalysisandConceptualModel . . . . . . . . . . . . . . . 48
4.4.2.1 Assumptions . . . . . . . . . . . . . . . . . . . . 48
4.4.2.2 BasicDefinitions . . . . . . . . . . . . . . . . . 48
4.4.3 MathematicalModel . . . . . . . . . . . . . . . . . . . . . 49
4.4.4 ComputationalModel . . . . . . . . . . . . . . . . . . . . 49
4.5 Simulation:BasicConcepts . . . . . . . . . . . . . . . . . . . . . 51
4.5.1 SimulationModels . . . . . . . . . . . . . . . . . . . . . . 51
vii
4.5.2 VariabilitywithTime . . . . . . . . . . . . . . . . . . . . . 53
4.5.3 SimulationResults . . . . . . . . . . . . . . . . . . . . . . 53
Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 54
Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55
Chapter5 AlgorithmsandPrograms 57
5.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 57
5.2 ProblemSolving . . . . . . . . . . . . . . . . . . . . . . . . . . . 57
5.3 Algorithms . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58
5.4 AlgorithmDescription . . . . . . . . . . . . . . . . . . . . . . . . 58
5.5 DesignStructures . . . . . . . . . . . . . . . . . . . . . . . . . . . 60
5.5.1 Sequence . . . . . . . . . . . . . . . . . . . . . . . . . . . 61
5.5.2 Selection . . . . . . . . . . . . . . . . . . . . . . . . . . . 61
5.5.3 Repetition . . . . . . . . . . . . . . . . . . . . . . . . . . . 61
5.6 ImplementingAlgorithms . . . . . . . . . . . . . . . . . . . . . . 62
5.6.1 AssignmentandArithmeticExpressions . . . . . . . . . . . 63
5.6.2 SimpleNumericComputations . . . . . . . . . . . . . . . . 63
5.6.3 SimpleInput/Output . . . . . . . . . . . . . . . . . . . . . 65
5.7 ComputingAreaandCircumference . . . . . . . . . . . . . . . . . 67
5.7.1 Specification . . . . . . . . . . . . . . . . . . . . . . . . . 67
5.7.2 AlgorithmwiththeMathematicalModel . . . . . . . . . . 67
Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69
Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69
Chapter6 Selection 71
6.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71
6.2 SelectionStructure . . . . . . . . . . . . . . . . . . . . . . . . . . 71
6.2.1 SelectionStructurewithFlowcharts . . . . . . . . . . . . . 71
6.2.2 SelectionwithPseudo-Code . . . . . . . . . . . . . . . . . 72
6.2.3 ImplementingSelectionwiththeCLanguage . . . . . . . . 73
6.2.4 ConditionalExpressions . . . . . . . . . . . . . . . . . . . 73
6.2.5 ExamplewithSelection . . . . . . . . . . . . . . . . . . . 74
6.3 AComputationalModelwithSelection . . . . . . . . . . . . . . . 75
6.3.1 AnalysisandMathematicalModel . . . . . . . . . . . . . . 75
6.3.2 AlgorithmforGeneralSolution . . . . . . . . . . . . . . . 76
6.3.3 DetailedAlgorithm . . . . . . . . . . . . . . . . . . . . . . 76
6.4 Multi-LevelSelection . . . . . . . . . . . . . . . . . . . . . . . . 79
6.4.1 GeneralMulti-PathSelection. . . . . . . . . . . . . . . . . 79
6.4.2 CaseStructure . . . . . . . . . . . . . . . . . . . . . . . . 80
6.5 ComplexConditions . . . . . . . . . . . . . . . . . . . . . . . . . 82
Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83
Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83
viii
Chapter7 Repetition 85
7.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85
7.2 RepetitionwiththeWhileLoop . . . . . . . . . . . . . . . . . . . 85
7.2.1 While-LoopFlowchart . . . . . . . . . . . . . . . . . . . . 85
7.2.2 WhileStructureinPseudo-Code . . . . . . . . . . . . . . . 86
7.2.3 WhileLoopintheCLanguage . . . . . . . . . . . . . . . . 87
7.2.4 LoopCounter . . . . . . . . . . . . . . . . . . . . . . . . . 87
7.2.5 AccumulatorVariables . . . . . . . . . . . . . . . . . . . . 88
7.2.6 SummationofInputNumbers . . . . . . . . . . . . . . . . 88
7.3 Repeat-UntilLoop . . . . . . . . . . . . . . . . . . . . . . . . . . 90
7.4 ForLoopStructure . . . . . . . . . . . . . . . . . . . . . . . . . . 92
7.4.1 SummationProblemwithaForLoop . . . . . . . . . . . . 92
7.4.2 FactorialProblem . . . . . . . . . . . . . . . . . . . . . . . 93
7.4.2.1 MathematicalSpecificationofFactorial . . . . . . 94
7.4.2.2 ComputingFactorial . . . . . . . . . . . . . . . . 94
Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95
Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96
Chapter8 Arrays 99
8.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99
8.2 DeclaringanArray . . . . . . . . . . . . . . . . . . . . . . . . . . 100
8.2.1 DeclaringArraysinPseudo-Code . . . . . . . . . . . . . . 100
8.2.2 DeclaringArraysinC . . . . . . . . . . . . . . . . . . . . 100
8.3 OperationsonArrays . . . . . . . . . . . . . . . . . . . . . . . . . 101
8.3.1 ManipulatingArrayElementsinPseudo-Code . . . . . . . 101
8.3.2 ManipulatingElementsofanArrayinC . . . . . . . . . . . 101
8.4 ArraysasArguments . . . . . . . . . . . . . . . . . . . . . . . . . 102
8.5 ASimpleApplicationwithArrays . . . . . . . . . . . . . . . . . . 104
8.6 ArithmeticOperationswithVectors . . . . . . . . . . . . . . . . . 106
8.7 Multi-DimensionalArrays . . . . . . . . . . . . . . . . . . . . . . 107
8.7.1 Multi-DimensionalArraysinPseudo-Code . . . . . . . . . 108
8.7.2 Multi-DimensionalArraysinC . . . . . . . . . . . . . . . 108
8.7.3 PassingMulti-DimensionalArrays . . . . . . . . . . . . . . 109
8.8 ApplicationsUsingArrays . . . . . . . . . . . . . . . . . . . . . . 110
8.8.1 ProblemswithSimpleArrayManipulation . . . . . . . . . 110
8.8.1.1 AverageValueinanArray. . . . . . . . . . . . . 110
8.8.1.2 MaximumValueinanArray . . . . . . . . . . . 112
8.8.2 Searching . . . . . . . . . . . . . . . . . . . . . . . . . . . 113
8.8.2.1 LinearSearch . . . . . . . . . . . . . . . . . . . 113
8.8.2.2 BinarySearch . . . . . . . . . . . . . . . . . . . 114
Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115
Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116
ix
Chapter9 Pointers 117
9.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117
9.2 PointerFundamentals . . . . . . . . . . . . . . . . . . . . . . . . 117
9.3 PointerswithC . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117
9.4 Dereferencing . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118
9.5 ConvertingPointerTypes . . . . . . . . . . . . . . . . . . . . . . . 119
9.6 ReferenceParameters . . . . . . . . . . . . . . . . . . . . . . . . 119
9.7 PointerswithValueNULL . . . . . . . . . . . . . . . . . . . . . . 120
9.8 ArraysasPointers . . . . . . . . . . . . . . . . . . . . . . . . . . 122
9.8.1 PointerParametersforArrays . . . . . . . . . . . . . . . . 122
9.8.2 FunctionsthatReturnArrays . . . . . . . . . . . . . . . . . 123
9.8.3 DynamicMemoryAllocation . . . . . . . . . . . . . . . . 124
9.9 ComplexDataStructures . . . . . . . . . . . . . . . . . . . . . . . 125
9.9.1 StructureTypes . . . . . . . . . . . . . . . . . . . . . . . . 125
9.9.2 ArrayofStructures . . . . . . . . . . . . . . . . . . . . . . 125
9.9.3 PointerstoStructures . . . . . . . . . . . . . . . . . . . . . 126
9.10 DefiningTypeNames . . . . . . . . . . . . . . . . . . . . . . . . 127
9.11 EnumeratedTypes . . . . . . . . . . . . . . . . . . . . . . . . . . 128
Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128
Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129
Chapter10 LinkedLists 131
10.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131
10.2 NodesandLinkedList . . . . . . . . . . . . . . . . . . . . . . . . 131
10.2.1 Nodes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132
10.2.2 ManipulatingLinkedLists . . . . . . . . . . . . . . . . . . 133
10.2.3 ExampleofManipulatingaLinkedList . . . . . . . . . . . 135
10.2.4 LinkedListasanAbstractDataType . . . . . . . . . . . . 138
10.3 LinkedListwithTwoEnds . . . . . . . . . . . . . . . . . . . . . . 142
10.4 Double-LinkedLists . . . . . . . . . . . . . . . . . . . . . . . . . 143
10.5 Higher-levelDataStructures . . . . . . . . . . . . . . . . . . . . . 145
10.5.1 Stacks . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145
10.5.2 Queues . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148
Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150
Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 151
Chapter11 TextData 153
11.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 153
11.2 CStrings . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 153
11.3 StringInputandOutput . . . . . . . . . . . . . . . . . . . . . . . 154
11.4 StringOperations . . . . . . . . . . . . . . . . . . . . . . . . . . . 155
11.5 UsingtheStringFunctions . . . . . . . . . . . . . . . . . . . . . . 156
Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158
Exercises . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158