[gpaw-users] mpi-problem

[Jens Jørgen Mortensen]

On Thu, 2011-01-20 at 12:18 +0100, Torsten Hahn wrote:
> 
> Am 20.01.2011 um 11:59 schrieb Jens Jørgen Mortensen:
> 
> > On Thu, 2011-01-20 at 10:09 +0100, Torsten Hahn wrote:
> > > Dear Jussi,
> > > 
> > > i attached a minimum example which shows the problem. The error
> > > occurs in most cases right after the first scf-cycle is finished
> > > during structure optimization.
> > 
> > On how many cores do you run this calculation?
> > 
> 
> 
> 32 cores

It also fails for me on 32 cores.  I haven't found the bug, but I have
discovered that the code crashes while it is calculating the forces.  I
also found that if I comment the line "setups={None:'hgh'}" it seems to
work.  Could you check that this works for you also?

Jens Jørgen

PS: What is the reason you want to use HGH pseudopotentials?