[gpaw-users] "Failed to orthogonalize" error when running on 4 processors

[Ask Hjorth Larsen]

Hi

On Tue, 15 Mar 2011, Marcin Dulak wrote:

>
>
> Ask Hjorth Larsen wrote:
>> Hi
>> 
>> On Tue, 15 Mar 2011, Marcin Dulak wrote:
>> 
>>> Ask - can you run Jakob's example on ubuntu?
>>> 
>>> Marcin
>> 
>> Not on four CPUs I'm afraid.  I'll give it a try though and get back to 
>> you.
> i think you can still oversubscribe the cpus, as long you have enough memory.
> On Jakob's ubuntu the job crashes at the first SCF.
>
> Marcin
>> 
>> Regards
>> Ask


Yeah, I expected to run out of memory but it was small enough.

It runs successfully for at least four iterations on my computer using 
the ubuntu package and standard lapack/blas/mpi.

Regards
Ask