A massively parallel multireference conf
A massively parallel multireference configuration interaction program: The parallel COLUMBUS program
โ
Dachsel, Holger; Lischka, Hans; Shepard, Ron; Nieplocha, Jaroslaw; Harrison, Rob
๐
Article
๐
1997
๐
John Wiley and Sons
๐
English
โ 283 KB
๐ 1 views
A massively parallel version of the configuration interaction CI section of the ลฝ . COLUMBUS multireference singles and doubles CI MRCISD program system is described. In an extension of our previous parallelization work, which was ลฝ . based on message passing, the global array GA toolkit has now bee