[QE-users] Problem with ecutwfc, Error in routine ggen 1 (299008): too many g-vectors

[Paolo Giannozzi]

input data? QE version?

On Thu, Oct 11, 2018 at 4:55 PM Lucas Nicolás Lodeiro Moraga <
lucas.lodeiro at ug.uchile.cl> wrote:

> Hello QE users!
>
> I have been testing the convergence of energy in a Cu2O slab, I ran a lot
> of calculations with differents parameter, but, when I am doing the ecutwfc
> test, from 15 Ry to 200 Ry, i have a problem/error when the ecutwfc is 65
> or 70. All others do not have any problem.
> The error is:
>
>
>      Estimated max dynamical RAM per process >     295.16MB
>
>      Estimated total allocated dynamical RAM >    1180.62MB
>
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine ggen 1 (299008):
>      too many g-vectors
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
>
> I do not know why it is the error, neither how can i fix it, i read the
> forum, but always the answers are like as: " verify that you haven't
> given in
> input weird parameters (cutoff, fft dimensions) for the G-vector
> grid, or very strange cells".
>
> In my case, the input file and the geometry is the same for all
> calculations, i only change the value of ecutwfc. The calculations does not
> have any problem when ecutwfc is 60 or 75 Ry... I do not know what to do
> for fix it... Any suggestions?
>
> Regards
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20181011/52c8516a/attachment.html>