[QE-users] error in recovering phonon calculation

[Oscar Baseggio]

Dear Jacopo,
It's hard to understand what's happening without the error, the only 
error that I see in your input is in recover.

Recover =true, >>>> recover =.true.,

Best regards
Oscar Baseggio


Il 2020-10-19 01:35 Jacopo Simoni ha scritto:
> Dear QE users,
> I am running a phonon calculation, the calculation is quite long and
> expensive so I need to restart it a couple of times before I complete
> it.
> The first run ends smoothly, but when I try to restart it I get an
> error because it is not able to restart from the previous run.
> This is my input file
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
> phonons - mithrene
>  &inputph
>   recover=true,
>   max_seconds=39600,
>   tr2_ph=1.0d-12,
>   prefix='mthr',
>   ldisp=.true.,
>   nq1=1, nq2=1, nq3=1,
>   amass(1)=107.86820,
>   amass(2)=78.96000,
>   amass(3)=12.01070,
>   amass(4)=1.00794,
>   outdir='/lustre/scratch3/turquoise/jacopo/mithrene3/data.save/',
>   fildyn='mthr.dyn',
>  /
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> I appreciate any suggestion.
> Thanks, Jacopo Simoni
> Research associate, Lawrence Berkeley National Lab.
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