[Pw_forum] "recover" tag

Paolo Giannozzi giannozz at democritos.it
Sun Jun 22 22:58:17 CEST 2008


On Jun 22, 2008, at 20:53 , S. K. S. wrote:

>    I'm running a phonon calculation on parallel cluster. [...]
>    Now while I'm trying to restart it using "recover" tag,
>    I'm getting the following error:

>   from broyden : error #         1
>      factorization

well known problem, solution not easy. The restarting mechanism
in the phonon code is not very robust and occasionally gives raise
to unexpected results. Several cases of bad restart have been
fixed in v.4, but maybe not all of them. In any event: if your code
crashes while writing a file, restarting will go wrong for sure

Paolo
---
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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