[Pw_forum] Stop job/ Davidson diagonalization with overlap

[naz...@iasbs.ac.ir]

  Dear Paolo,

 At first I thought so. But at this moment I do not think so because

 I did calculation on 72 atoms rutile and 72 atoms anatas . the 72 atom

 anatas job with ecut 30 ry crash but rutile run.

 regards
 Fariba Nazari
 IASBS




> nazari at iasbs.ac.ir wrote:
>
>>  when I do scf or relax calculation  job starts the first iteration but
>>   stop immedietly.  with this line in output:
>>
>> iteration #  1 ecut=30.00 Ry beta=0.70
>>  Davidson diagonalization with overlap
>
> as a first guess I would say "out of memory"
>
> Paolo
> --
> Paolo Giannozzi, Democritos and University of Udine, Italy
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[Pw_forum] Stop job/ Davidson diagonalization with overlap

[naz...@iasbs.ac.ir]

 Dear all,

 when I do scf or relax calculation  job starts the first iteration but

  stop immedietly.  with this line in output:

iteration #  1 ecut=30.00 Ry beta=0.70
 Davidson diagonalization with overlap

 any suggestion?

 regards
 Fariba nazari
 IASBS

[Pw_forum] Stop job/ Davidson diagonalization with overlap

[Paolo Giannozzi]

nazari at iasbs.ac.ir wrote:

>  when I do scf or relax calculation  job starts the first iteration but
>   stop immedietly.  with this line in output:
> 
> iteration #  1 ecut=30.00 Ry beta=0.70
>  Davidson diagonalization with overlap

as a first guess I would say "out of memory"

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy