[Pw_forum] stability of fftw3 in qe-3.1

[Paolo Giannozzi]

On Friday 26 May 2006 00:56, Sergey Lisenkov wrote:

>   I tried to run a simple calculation of SrRuO3 using pwscf 3.1 version
> linked with fftw-3.1.1 library on intel xeon em64t cluster. Code crashed
> [...] But when I used the same pwscf version but linked with fftw2
> library, calculation is going smoothly. It seems that it is fftw issue. Is
> it safe way to use fftw3 library ?

maybe, or maybe not.

Drivers for the fftw3 library were kindly provided by Pascal Thibaudeau 
and Stephane Lefranc, ported to the new version by myself and tested only
on a 32-bit PC in a few cases. They sort of worked, i.e. they produced correct
results in most cases, but crashed for no apparent good reason in other 
cases. Anybody who is willing to investigate this issue is welcome.

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy