[Pw_forum] GIPAW Problem (Cholesky)

Davide Ceresoli davide.ceresoli at istm.cnr.it
Thu Nov 12 13:13:34 CET 2015


Dear Vic,
     could you try disabling the parallel linear algebra by
adding "-ndiag 1" after gipaw.x? also could you try to change
isolve from 0 to 1 or viceversa? third and last possibility:
increase q_gipaw from 0.01 to 0.02 or 0.03.

Best,
     Davide


On 11/11/2015 11:22 PM, Vic Bermudez wrote:
> Hello,
>
> 	I'm trying to use GIPAW for the first time and encountering a problem that
> isn't discussed at the users' forum. I'm using GIPAW vers. v.5.0.2 (svn rev.
> 9392), and I get this error message soon after execution starts:
>
> %%%%%%%%%%%%%%%%
>       Error in routine  cdiaghg (2785):
>        problems computing cholesky
>   %%%%%%%%%%%%%%%%
>       stopping ...
>
> 						Here's my GIPAW input file:



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