doing properties calculations in parallel...

[Axel]

hi all,

this was mentioned in a reply to some thread before, but i thought it
might be better to discuss this independently:

i was wondering, whether there would be a way to have some
of the more time-consuming analysis, that is run during a quickstep
MD, being done on a separate set of nodes. e.g. with the 'beloved'
calculation of wannier centers. since that type of calculation is
rather
independent, one could just transfer the wavefunction, coordinates
etc.
and then have a seperate communicator compute the centers, why the
regular MD can just go on.

perhaps, there are other potential targets for that approach as
well...

cheers,
   axel.