## An Introduction to High-performance Scientific ComputingThis text evolved from a new curriculum in scientific computing that was developed to teach undergraduate science and engineering majors how to use high-performance computing systems (supercomputers) in scientific and engineering applications. Designed for undergraduates, An Introduction to High-Performance Scientific Computing assumes a basic knowledge of numerical computation and proficiency in Fortran or C programming and can be used in any science, computer science, applied mathematics, or engineering department or by practicing scientists and engineers, especially those associated with one of the national laboratories or supercomputer centers.The authors begin with a survey of scientific computing and then provide a review of background (numerical analysis, IEEE arithmetic, Unix, Fortran) and tools (elements of MATLAB, IDL, AVS). Next, full coverage is given to scientific visualization and to the architectures (scientific workstations and vector and parallel supercomputers) and performance evaluation needed to solve large-scale problems. The concluding section on applications includes three problems (molecular dynamics, advection, and computerized tomography) that illustrate the challenge of solving problems on a variety of computer architectures as well as the suitability of a particular architecture to solving a particular problem. Finally, since this can only be a hands-on course with extensive programming and experimentation with a variety of architectures and programming paradigms, the authors have provided a laboratory manual and supporting software via anonymous ftp. Scientific and Engineering Computation series |

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### Contents

An Overview of Scientific Computing | 1 |

A Review of Selected Topics from Numerical Analysis | 31 |

IEEE Arithmetic Short Reference | 73 |

A Quick Review | 83 |

Elements of UNIX Make | 97 |

Elements of Fortran | 135 |

Elements of Matlab | 179 |

Elements of IDL | 223 |

Computer Performance | 337 |

Vector Computing | 405 |

Distributedmemory MIMD Computing | 439 |

SIMD Computing | 489 |

Molecular Dynamics | 533 |

Advection | 583 |

Computerized Tomography | 665 |

723 | |

### Common terms and phrases

advection equation algorithm architectures arithmetic array backprojection benchmark bytes called CFLAGS chapter clock cycle CM Fortran collision color column command communication compiler Cray Fortran Cray Y-MP data set defined denotes density dimension discrete discrete Fourier transform display DM-MIMD multiprocessor double precision elements ENDDO error Euler's method example execution expression figure window file named filtered floating-point floating-point operations Fortran 90 Fourier transform frequency function given grid hypercube instructions integer Intel length linear LINPACK loop machine macro makefile MasPar MATLAB matrix memory mesh method Mflops MIMD module molecules multiprocessor myprog myprog.f mytime.o nodes one-dimensional output parallel computers parameter particles performance pipeline plot problem result rw-rw-r scalar schauble scientific computing shown in figure significand SIMD single precision statement supercomputers trademark two-dimensional UNIX variable vector processors vector registers velocity visual workstations zero