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stop with dp running

Posted: Sun Jul 14, 2019 2:48 am
by sdwang
Dear developers,
I run Yambo-4.3.2 with double-precision and it stopped after the initializaition with:

<21s> P0064: [PARALLEL distribution for [G_m_G] G-vectors] Loaded/Total(Percentual):27/1947(1%)
P0064: [ERROR] STOP signal received while in :[05] Dynamic Dielectric Matrix (PPA)
P0064: [ERROR] Error search for G=G1-G2 !!

what is the problem could be?

Thanks!

SD

Re: stop with dp running

Posted: Mon Jul 15, 2019 10:06 pm
by andrea.ferretti
Dear Shudong,

reading your post a few reasons for the problem you observe come to mind (ranging from a bug showing up for usual input files,
to large systems with a lot of G vectors triggering difficulties in defining the G shells, or some missing G vectors in the DFT calculations
(eg ecutrho smaller than 4 times that of wfc)...).
All in all, I think that in order to be helpful we need a simple input file that we can use to reproduce the problem.
Can you provide one ?

thanks for reporting
Andrea