[Pw_forum] The jobs always cut after couple iterations

[Lorenzo Paulatto]

On 19 October 2012 11:15, Ihsan Erikat <ihsanas at yahoo.com> wrote:

>      Dense  grid:  3144005 G-vectors     FFT dimensions: ( 180,  81, 480)
>
>      Smooth grid:   605201 G-vectors     FFT dimensions: (  96,  48, 270)
>
>      Largest allocated arrays     est. size (Mb)     dimensions
>         Kohn-Sham Wavefunctions       254.00 Mb     (  75664,  220)
>         NL pseudopotentials           609.60 Mb     (  75664,  528)
>         Each V/rho on FFT grid        106.79 Mb     (6998400)
>         Each G-vector array            23.99 Mb     (3144005)
>         G-vector shells                 1.15 Mb     ( 151170)
>      Largest temporary arrays     est. size (Mb)     dimensions
>         Auxiliary wavefunctions      1016.00 Mb     (  75664,  880)
>         Each subspace H/S matrix       11.82 Mb     ( 880, 880)
>         Each <psi_i|beta_j> matrix      1.77 Mb     (    528,  220)
>         Arrays for rho mixing         854.30 Mb     (6998400,   8)
>
>
Dear Ihsan,

I would bet you are running out of memory. There should be some sign of it
in the various output files that the queue system generates.

bests

-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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