[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20080607/f552c3b1/attachment.html>
More information about the users
mailing list