Re: [SIESTA-L] error while changing bias

[Nick Papior]

Please simply try again.
There could be many reasons for this problem.

MPI exit problems without more specific details may be due to fx
communication problems on the node or other.

2016-09-22 13:19 GMT+02:00 toufik esssakhri :

> Dear all,
>
> i want to present the I-V characteristics, it works fine for biases
> between
> -1.5 to -8 (step : 0.1) and also without bias. But for the bias -0.7 it
> gives
> the following error :
>
>  Valence Band Bottom:   -10.1950 eV
>  Atoms available/ used atoms   :  6 /  6
>  Orbitals available / used orbitals: 90 / 90
>  q-points for expanding electrode (Bohr**-1):
>1 0.0E+00   0.0E+00   0.1E+01
>  Fermi level shift in electrode :0.35000  eV
> ---
> Primary job  terminated normally, but 1 process returned
> a non-zero exit code.. Per user-direction, the job has been aborted.
> ---
> --
> mpirun detected that one or more processes exited with non-zero status,
> thus causing
> the job to be terminated. The first process to do so was:
>
>   Process name: [[11230,1],0]
>   Exit code:38
> --
>
> i use siesta 4.0
> any suggestion please
> best regards
> taoufik
>
>


-- 
Kind regards Nick

[SIESTA-L] error while changing bias

[toufik esssakhri]

Dear all,

i want to present the I-V characteristics, it works fine for biases between
-1.5 to -8 (step : 0.1) and also without bias. But for the bias -0.7 it gives
the following error :

 Valence Band Bottom:   -10.1950 eV
 Atoms available/ used atoms   :  6 /  6
 Orbitals available / used orbitals: 90 / 90
 q-points for expanding electrode (Bohr**-1):
   1 0.0E+00   0.0E+00   0.1E+01
 Fermi level shift in electrode :0.35000  eV
---
Primary job  terminated normally, but 1 process returned
a non-zero exit code.. Per user-direction, the job has been aborted.
---
--
mpirun detected that one or more processes exited with non-zero status, thus 
causing
the job to be terminated. The first process to do so was:

  Process name: [[11230,1],0]
  Exit code:38
--

i use siesta 4.0
any suggestion please
best regards
taoufik