[Pw_forum] calculation stopped without saying even error
Ari P Seitsonen
Ari.P.Seitsonen at iki.fi
Fri Oct 2 11:07:00 CEST 2015
Dear Krishnaiah Kallamadi,
1) Please remember to sign with your affiliation,
2) From your output:
Parallel version (MPI), running on 1 processors
I guess that your job runs out of memory, stack, or something similar.
This is a _large_ job, please make sure the you have sufficient memory
resources.
Just a guess...
Greetings from Sunny Montrouge,
apsi
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
Ecole Normale Supérieure (ENS), Département de Chimie, Paris
Mobile (F) : +33 789 37 24 25 (CH) : +41 79 71 90 935
On Fri, 2 Oct 2015, Krishnaiah Kallamadi wrote:
> last 4 lines of outputfile and input and output files attached please help
> (it is about n-doped graphene nano ribbons)
>
>
>
>
>
>
>
> Initial potential from superposition of free atoms
> Check: negative starting charge= -0.001422
>
> starting charge 404.45595, renormalised to 406.00000
>
> negative rho (up, down): 0.143E-02 0.000E+00
>
>
>
More information about the users
mailing list