[CP2K:2232] Re: GLOBAL / BLACS_GRID and globenv%blacs_grid_layout

Noam Bernstein noam.be... at gmail.com
Tue Aug 18 01:50:49 CEST 2009


Hi Teo - I basically have the patch done.  I modified cp_blacs_env_create
to take one more logical optional arg.  So far I've gone for the "thorough"
solution, so every place where cp_blacs_env_create is called passes both
optional args from globenv.  This required minor changes in a bunch of
places, because various routines that didn't before now need access
to globenv.  I also had to add a couple of variables to cp_blacs_env_type,
so that the blacs_env_transpose (I forget which routine that's in)
could be done properly.  If you don't object to this scope of change, I can
mail you the patch tomorrow. If you prefer something more minor, I can easily
trim  it back to just the code path I _need_, which is to say starting from
qs_main, and also whatever's necessary for QM/MM runs.  Just let me know.

         Noam



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