stop with dp running

Concerns issues with computing quasiparticle corrections to the DFT eigenvalues - i.e., the self-energy within the GW approximation (-g n), or considering the Hartree-Fock exchange only (-x)

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano

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sdwang
Posts: 299
Joined: Fri Apr 09, 2010 12:30 pm

stop with dp running

Post by sdwang » Sun Jul 14, 2019 2:48 am

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
S. D. Wang
IMU,HOHHOT,CHINA
E-mail: sdwang@imu.edu.cn

andrea.ferretti
Posts: 214
Joined: Fri Jan 31, 2014 11:13 am

Re: stop with dp running

Post by andrea.ferretti » Mon Jul 15, 2019 10:06 pm

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
Andrea Ferretti, PhD
CNR-NANO-S3 and MaX Centre
via Campi 213/A, 41125, Modena, Italy
Tel: +39 059 2055322; Skype: andrea_ferretti
URL: http://www.nano.cnr.it

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