[Pw_forum] starting from file

[Paolo Giannozzi]

Try first of all without "wf_collect"; also verify if the number
of k-points in the second run (the one that the code actually
computes, not what you wrie in input) is the same as that of the
second run

P.

On Fri, 2014-09-26 at 07:48 -0400, Nossa, Javier wrote:
> Hi All,
> 
> 
> Thank you for your replay.
> Here is the head of the firts scf calculation:
> &control
>     calculation='scf'
>     restart_mode='from_scratch',
>     prefix='job',
>     verbosity='high',
>     outdir='/san2/jnossa_run/QE/EF/NiO/EF'
>     wf_collect=.TRUE.,
> This scf finished with not errors. Energy was converged.
> 
> 
> This is the head of the second scf calculation:
> &control
>     calculation='scf'
>     restart_mode='from_scratch',
>     prefix='job',
>     verbosity='high',
>     lelfield=.true.,
>     nberrycyc=1,
>     outdir='/san2/jnossa_run/QE/EF/NiO/EF'
>     wf_collect=.TRUE.,
> 
> 
> 
> 
> Here is the diff between the tow .in files:
> .....$ diff pw.*                
> 6,7d5
> <     lelfield=.true.,
> <     nberrycyc=1,
> 35,36d32
> <     startingwfc='file',
> <     efield_cart(1)=0.d0,efield_cart(2)=0.d0,efield_cart(3)=0.d0,
> 
> 
> 
> 
> I have all the permission to write/read/execute in my directory and I
> do not have quota limitations.
> 
> 
> Thank you for your time.
> 
> 
> 
> 
> 
> 
> 
> 
> 
> On Thu, Sep 25, 2014 at 5:18 PM, Karim Elgammal <egkarim at gmail.com>
> wrote:
>         this maybe due to restarting after a crashed or uncompleted
>         job.
>         also maybe due to exceeding your quota on the cluster.
>         
>         
>         Yours;
>         Karim
>         KTH.
>         
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> 
> 
> 
> 
> -- 
> With best regards,
> Javier Francisco Nossa
> 
> 
> Postdoc at Geophysical Laboratory
> Carnegie Institution of Washington
> 5251 Broad Branch Road, N.W.
> Washington, DC 20015-1305
> Tel.: 1.240.476.3993
> E-mail: jnossa at carnegiescience.edu
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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222