[Pw_forum] Too much memory required

[Paolo Giannozzi]

On Thu, May 4, 2017 at 2:50 PM, Pablo Álvarez Zapatero
<pabloalvazapa at hotmail.com> wrote:

> Estimated max dynamical RAM per process >  64279.60Mb of memory,
> which results in a memory allocation error
> [....]
> Using electron_maxstep = 50 tag  does not lead to a memory error

conflicting statements: memory usage does not depend upon the
electron_maxstep variable

> Any ideas why I am having this problem? Should I use other input options for
> this system?

if you want to run large calculations, you should learn and understand
how memory is used in QE and which parameters determine its usage.
There is a short section in the user guide:
http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node16.html
FIle memory_report.f90 estimates memory usage. It's a rather simple
piece of code) the difficult part is to locate large arrays in the
code). Have a look at the most recent version.

Paolo

>
> Thank you for your time and patience.
>
> Pablo.
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum



-- 
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