[QE-users] problem whem more than 1000 k-points

Lorenzo Paulatto paulatz at gmail.com
Thu Aug 20 09:24:29 CEST 2020


> But when I increase to 12*12*12=1728 k-points, the  program does not 
> really run, there is no output or error.
> I have increased the nkp in Module/parameter.f90  to 100000,

You "fix" would not help, and will in fact make things worst. If you 
exceed nkp the code will stop immediately with an error message.

Your description of the problem, if it is accurate, seems to indicate 
that there is an error in your job script.

regards

-- 
Lorenzo Paulatto - Paris


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