[Pw_forum] starting from file

[Nossa, Javier]

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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> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
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 <dappleby at ciw.edu>
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