[Pw_forum] Segmentation fault on relaxed structure in vc-relax on QE4.3.1

Marino Vetuschi Zuccolini zucco at dipteris.unige.it
Thu Jul 28 18:14:52 CEST 2011


I've compiled the 4.3.2 version of QE and the bug it is not present apparently on some tests I did.
I will follow your suggestion if it will still present.

Thank you very much.

m.
On 28 Jul 2011, at 17:38, Paolo Giannozzi wrote:

> 
> On Jul 26, 2011, at 13:50 , Marino Vetuschi Zuccolini wrote:
> 
>> during the computation of the last SCF cycle *on relaxed structure*
>> this segmentation fault error (repeated for each process) happens
> 
> a problem in the last step of a variable-cell optimization was fixed
> in v.4.3.2. Please file a bug report on qe-forge if still present.
> 
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> 
> 
> 
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*******************************************************
Marino Vetuschi Zuccolini
zucco at dipteris.unige.it
Researcher / Geochemist
Laboratory of Geochemistry

DIPartimento per lo studio della TErra e delle sue RISorse - Università  di Genova
Tel. ++39 010 3538136 Fax. ++39 010 352169
Corso Europa 26, 16132 - Genova - Italy





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