[Pw_forum] Error in routine Invmat (1) : error in DGETRF

[Paolo Giannozzi]

The link you cite is not relevant to your case in my opinion. Check that
your input makes sense: funny errors like this are sometimes a consequence
of a bad input, with too close atoms

Paolo

On Wed, Sep 27, 2017 at 4:43 PM, Amar Singh <amarsingh122014 at rediffmail.com>
wrote:

> Hi Friends,
> ​ I am trying to use pw.x (and pw.exe before) for a structure
> optimization. Initially I was using QE5.3 on windows 10 and was
> encountering "Error in routine Invmat (1) : error in DGETRF" error. I found
> on forum (http://qe-forge.org/pipermail/pw_forum/2014-
> September/105120.html) that the bug problem is in QE5.1. Now I am using
> QE6.1 via Ubuntu, but surprisingly getting the same error. Will appreciate
> any help in this regard.
> thanks
> ​
>
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>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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