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Roskilde University Molecular Dynamics package

Supported features

The current version of RUMD supports

RUMD user philosophy

We have defined five user levels:
  1. A user at level 1 is one who can write or copy a simple python script to run a standard molecular dynamics simulation, and then use the provided analysis tools to perform standard analysis of the output. This user can make some basic choices, such as the potential, the integrator, and controlling the frequency of output.
  2. This user understands the deeper structure of the code--that is the different kinds of classes/objects, the relations between them, and their interfaces. Also this user understands how the python language works, and can therefore write more sophisticated python scripts which access the full power and flexibility of RUMD.
  3. A user at level 3 is one with minimal experience in C++ and can write her own (pair-)potential functions, to be available as classes.
  4. This user can write her own analysis programs in C++ or Python, but does not need to know anything about GPU programming, since analysis is generally carried out on the CPU.
  5. RUMD developer. Must have a good knowledge of C++, CUDA programing and knowledge of Subversion.

The tutorial will bring you from level 1 to level 3.