[CP2K:712] parallel distribution of data

Teodoro Laino teodor... at gmail.com
Fri Feb 29 21:31:06 CET 2008


Ciao Nick,

Looks like it is a problem with the new real-space distirbution.. can  
you try

the realspace distribution -> replicated ?
Does it work?

In case I guess people working on that need an input file (even a  
fake one) reproducing the same error to debug the problem..

Thanks Nick!
teo

On 29 Feb 2008, at 21:23, Nichols A. Romero wrote:

> Hi,
>
> We are working on a very large system size ~ 4000 atoms. It is  
> finite system and
> there is about 20 Bohr of vacuum on all sides. (Probably overkill).
>
> I think the error that I am receiving has to do with the parallel  
> distribution of
> the data. Would the distribution algorithm fail if there is too  
> much vacuum perhaps?
>
> Here is the error message. BTW, we seem to be able to run the 4096  
> & 8196 test
> cases.
>
>
>   Extrapolation method: initial_guess
>
>
>  *
>  *** ERROR in pack_matrix almost there  ***
>  *
>
>
>  *** Matrix block not found  ***
>
>
>
>
> -- 
> Nichols A. Romero, Ph.D.
> DoD User Productivity Enhancement and Technology Transfer (PET) Group
> High Performance Technologies, Inc.
> Reston, VA
> 443-567-8328 (C)
> 410-278-2692 (O)
> >

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