[CP2K:2233] Re: GLOBAL / BLACS_GRID and globenv%blacs_grid_layout

Teodoro Laino teodor... at gmail.com
Tue Aug 18 06:38:26 UTC 2009


That sounds ok!
just send me the patch and in case we can continue discussing between us.
A dopo and thanks for your contribution!
Teo

Noam Bernstein wrote:
> 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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