[Pw_forum] Problem with Ni/Ni3Al system

[martins at if.uff.br]

Dear Eugenio, Dear all:

> Dear brazilian coleague, I didn't find anythig wrong with your  
> input. So, I succeded and it is still    > running (is now in the  
> first iteration..). Anything wasnt changed... Best regards! Abraço!  
> Egn

Motivated by your message, I re-run the calculation, but now using  
just ONE processor (before, I runned the calculation in four  
processors, using MPI). Now the program works!

Thus, I have two questions:

(i) Is it possible to be a version problem? I'm using the 4.3.2  
version of the Quantum Espresso.

(ii) I can be a compilation problem? In this case I supply other  
information: I runned other calculations for other supercell  
dimensions and using MPI (4 processors) and the calculations were fine!

Best regards to all,

Adriano


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Adriano de Souza Martins
Professor Adjunto III
Departamento de Física - ICEx
Polo Universitário de Volta Redonda
Universidade Federal Fluminense
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