[Pw_forum] How to solve the problem: "problems computing cholesky decomposition"

[Wang Qinjing]

Dear PWSCF users: 

I am a new user of the PWSCF. I met a problem when I did a simple SCF calculation. The CRASH file is as follows:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         6
     from  pzpotrf  : error #        54
      problems computing cholesky decomposition
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

If I change the number of atoms "nat" from 9 to 3 in my input file, there is not any problem.

What could I do to solve this problem? Thank you in advance. 

Yours Wang
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080607/f552c3b1/attachment.htm