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Summary

Examples and other content for a tutorial on high-performance computing in chemistry

Details

Open-source education materials for a week-long tutorial on high-performance computing (HPC) in chemistry. The course is targeted at senior undergraduate and graduate students who should be familiar with at least one compiled language (C, C++, Fortran).

The course objectives are:

  • to introduce chemistry/physics students to the concepts, tools, and methods of modern HPC;
  • to enable them to start using and in particular developing applications for high-performance computers; and
  • to provide the resources and knowledge necessary for further independent advancement.

Comments

Jeff apologizes for the foul language in the SVN commit messages. I was young and foolish.

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Automatically exported from code.google.com/p/hpcinchemistrytutorial

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  • Shell 72.2%
  • C 19.2%
  • C++ 5.4%
  • Makefile 1.9%
  • Fortran 1.3%