Crystallographic resources


Entered: Tue Nov 23 2010

Operating systems: MacOS; Unix; VMS; MS Windows

Type: Source

Languages: Fortran

Distribution: Free

Application fields: Biology; Chemistry; Structure


Description: A single run of MDBNCH performs seven independent molecular dynamics calculations, using systems of different sizes and/or using different codes. The purpose of doing this is to sample a variety of different running conditions. MDBNCH results provide information about the speed of machines in classical molecular dynamics calculations using short-range potentials and neighbor lists. More generally, they may give you a feeling about the behavior of systems on codes which are relatively small, but tend to access memory in a quite irregular way, probably causing many cache misses on recent RISC architectures.


Last updated: 15 Oct 2021