On Thu, May 4, 2017 at 2:50 PM, Pablo Álvarez Zapatero <[email protected]> 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 > [email protected] > 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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
