Workarounds are fine with me, I'm just about out if ideas so any help is
appreciated.
Best,
Rob Koch
On Jul 1, 2010, at 10:23 AM, "Backlund, Daniel" wrote:
> A few thoughts that may or may not make a difference...
>
> Have you tried with or without Diag.ParallelOverK set to .true.
> This wil
A few thoughts that may or may not make a difference...
Have you tried with or without Diag.ParallelOverK set to .true.
This will use a different diagonalization driver withing SIESTA and
could help.
I have had dDmax using a self-compiled version of BLACS and SCALAPACK.
If you have access to the
