[Pw_forum] cholesky decomposition

Paolo Giannozzi giannozz at democritos.it
Wed Jul 16 15:27:20 CEST 2008


On Jul 14, 2008, at 18:26 , Liping Yu wrote:

> I have been met this kind of error messages many times when doing
> structure relaxation with 'bfgs' using espresso-4.0. This error ever
> occurred on IMB sp4/5 and Sun cluster comprised of Opteron processors.
> There is no such error message if I change 'bfgs' to 'damp', or use  
> the
> older code version (< 4.0). I didn't check it in v.4.0.1.
> Liping
>
> Paolo Giannozzi wrote:

>> but nobody has ever provided a test job

and you didn't either
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






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