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

Wang Qinjing 041019019 at fudan.edu.cn
Sat Jun 7 13:17:11 CEST 2008


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
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