[Pw_forum] How to solve the problem: "problems computing cholesky decomposition"

[Eyvaz Isaev]

Dear Wang,

--- Wang Qinjing <041019019 at fudan.edu.cn> wrote:

> Dear PWSCF users: 
> 
> I am a new user of the PWSCF. 

You are welcome! 

>I met a problem when I did a simple SCF calculation.
The CRASH file is as
> follows:
> 
>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      task #         6
>      from  pzpotrf  : error #        54
>       problems computing cholesky decomposition
> 
>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
> If I change the number of atoms "nat" from 9 to 3 in
> my input file, there is not any problem.
> 
> What could I do to solve this problem? Thank you in
> advance. 

I suppose nobody can help you until you post your
input file.
Besides, please provide your affiliation. This is
accepted Netiquette by default in this forum.

Bests,
Eyvaz.

> Yours Wang
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> 


-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
Condensed Matter Theory Group, Uppsala University, Sweden 
Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com