High Performance Computing in Physics - NFPL006
Title: Řešení výpočetně náročných úloh ve fyzice
Guaranteed by: Department of Condensed Matter Physics (32-KFKL)
Faculty: Faculty of Mathematics and Physics
Actual: from 2012
Semester: winter
E-Credits: 3
Hours per week, examination: winter s.:1/1, C+Ex [HT]
Capacity: unlimited
Min. number of students: unlimited
4EU+: no
Virtual mobility / capacity: no
State of the course: taught
Language: Czech, English
Teaching methods: full-time
Note: enabled for web enrollment
Guarantor: doc. RNDr. Karel Carva, Ph.D.
doc. RNDr. Stanislav Daniš, Ph.D.
Teacher(s): doc. RNDr. Karel Carva, Ph.D.
Class: Fyzikální předmět pro bakaláře
Classification: Physics > Solid State Physics
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Annotation -
High Performance Computing in Physics. General rules, basic methods for programming computationally intensive problems (optimization, parallelization), execution of jobs at computational clusters and other practical aspects. Recommended for master students or post-graduate students. Precondition is to have passed either Numerical Methods of Computer Physics, Introduction to Programming in Matlab or a similar subject, basic handling of Unix/Linux systems.
Last update: Mikšová Kateřina, Mgr. (13.05.2019)
Course completion requirements -

The condition for completing the course is a credit and an oral exam. Credit requirements require active participation in exercises. For this reason, corrective attempts to grant credit are not possible.

Last update: Mikšová Kateřina, Mgr. (12.05.2022)
Literature -

1. S. Goedecker, A. Hoisie, Performance Optimization of Numerically Intensive Codes, SIAM, Philadelphia, PA, 2001

2. J. Dongarra, J. Bunch, C. Moler and G. W. Stewart, Linpack User's Guide, SIAM, Philadelphia, PA, 1979, or online LAPACK Users' Guide

3. J. Dongarra, Sourcebook of parallel computing, Morgan Kaufmann Publishers, San Francisco, 2003

Last update: CARVA/MFF.CUNI.CZ (20.09.2009)
Requirements to the exam - Czech

Požadavky absolvování ústní zkoušky odpovídají rozsahu sylabu prezentovaném na přednášce.

Last update: Carva Karel, doc. RNDr., Ph.D. (17.10.2017)
Syllabus -

Introduction to computational complexity theory

Program optimizations:

  • Performance measurement, profiling
  • Cycle optimization
  • Memory distribution optimization
  • Sparse and other special matrices
  • Linear algebra packages: LAPACK, BLAS
  • Utilization of architecture-specific features (e.g. SSE instructions, cache size)
  • Parallelization (shared / distributed memory)
  • Specific features of selected programming language (mainly Fortran 95/2003, C/C++, Matlab)
  • Compiler options

Job execution:

  • Distributed job / resource management systems, introduction to Sun Grid Engine
  • Overview of available computational resources (clusters) in Czech Republic

Applications:

  • Selection of real physical problems aimed to test and strengthen acquired knowledge
  • The possibility to include problems proposed by students
  • Illustration of a task solved in practice: electronic structure calculation
Last update: CARVA/MFF.CUNI.CZ (20.09.2009)