[Pw_forum] scf exit without error messag

[Hadi Arefi]

Dear Sakhraoui,

It happens the same to me when I am run out of space on the disk.

Best,

Hadi.

-----Original Message-----
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On Behalf Of Giuseppe Mattioli
Sent: 26 June 2013 15:29
To: Sakhrawi Taoufek; PWSCF Forum
Subject: Re: [Pw_forum] scf exit without error messag


Dear Sakhraoui Taoufik
We do not understand too, with such a minimal information...
Yours
Giuseppe

On Wednesday 26 June 2013 15:41:34 Sakhrawi Taoufek wrote:
> Dear all,
> 
> I do self consistent calculation for fr relaxed structur, after few 
> minutes the it stops without printing  any error message. i do not 
> understand what's happened
> 
> *.scf.out
> ===================================================
> 
>    Program PWSCF v.5.0.1 starts on 26Jun2013 at 15:19:34
> 
>      This program is part of the open-source Quantum ESPRESSO suite
>      for quantum simulation of materials; please cite
>          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
>           URL http://www.quantum-espresso.org",
>      in publications or presentations arising from this work. More 
> details at http://www.quantum-espresso.org/quote.php
> ..
> ..   
> 
>        Largest allocated arrays     est. size (Mb)     dimensions
>         Kohn-Sham Wavefunctions         1.14 Mb     (   1068,   70)
>         NL pseudopotentials             3.00 Mb     (   1068,  184)
>         Each V/rho on FFT grid          1.87 Mb     (  61200,   2)
>         Each G-vector array             0.23 Mb     (  30679)
>         G-vector shells                 0.11 Mb     (  14089)
>      Largest temporary arrays     est. size (Mb)     dimensions
>         Auxiliary wavefunctions         4.56 Mb     (   1068,  280)
>         Each subspace H/S matrix        1.20 Mb     ( 280, 280)
>         Each <psi_i|beta_j> matrix      0.20 Mb     (    184,   70)
>         Arrays for rho mixing           7.47 Mb     (  61200,   8)
> ====================================================
> 
>  thanks
> 
> ======================================================
> Sakhraoui Taoufik PhD Student
> 
> Laboratoire de la matière condesée et des nanosciences Faculté des 
> sciences de Monastir, Avenue de l'environnement, 5019 Monastir Tunisie
> Phone: +33 7 53038251 || +216 96 173 454
> E-mail: tsakhrawi at yahoo.com
> ======================================================


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