[Pw_forum] stability of fftw3 in qe-3.1

Sergey Lisenkov proffess at yandex.ru
Fri May 26 00:56:30 CEST 2006


 Dear developers,

  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 before the first scf iteration (I see that integrated charge is a very huge value). 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 ?

  Thanks,
    Sergey



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