[Pw_forum] something strange with my nscf and projwfc calculations

[Eyvaz Isaev]

Hi,

> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from cdiaghg : error #      1933
>      info =/= 0
> 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Great! Now this message is reported N+1 times.

Please read carefully the mail archive and troublshootings in the UserGuide (page 55: pw.x stops with error in cdiaghg or rdiaghg).

Bests,
Eyvaz.

-------------------------------------------------------------------
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


--- On Fri, 7/18/08, vega lew <vegalew at hotmail.com> wrote:

> From: vega lew <vegalew at hotmail.com>
> Subject: Re: [Pw_forum] something strange with my nscf and projwfc calculations
> To: "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Friday, July 18, 2008, 2:23 PM
> Dear sir,
> 
> OK, thank your for your reply. And sorry for my
> precipitancy. 
> Last mail, Paolo Giannozzi just tell me a link have
> something to do with the warning message.
> But There was nothing about the cholesky decomposition
> problem late reply of him. So I'm worry
> about my expression on that matter. I think he didn't
> note the problem. and I remind him there 
> was cholesky decomposition problem. I didn't mean to
> hasten anyone. I'm sorry for the misunderstanding.
> 
> Now I searched the acheive. and try to disable the parallel
> of diagonalization using the commad
> mpirun -hostfile ~/hostfile -np 20 pw.x -npools 2 -ndiag 1
> < input >output.
> And there was another error like this,
> 
>      Band Structure Calculation
>      Davidson diagonalization with overlap
>  
> 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from cdiaghg : error #      1933
>      info =/= 0
> 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>  
>      stopping ...
> 
> 
> Vega Lew
> PH.D Candidate in Chemical Engineering
> 
> State Key Laboratory of Materials-oriented Chemical
> Engineering
> College of Chemistry and Chemical Engineering
> Nanjing University of Technology, 210009, Nanjing, Jiangsu,
> China
> 
> 
> 
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