[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