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

[Jakob Blomqvist]

Hmm.... Odd. When you replied this I tried to run it using:
$ mpirun -np 4 gpaw-python gamma.py
Then it runs fine. But when I go through torque it doesn't (for 4 processors).
I did have some issues with installing Torque (2.4.3) though.

/Jakob


>>> Ask Hjorth Larsen  03/15/11 1:45 PM >>>
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
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