[Pw_forum] ESM error in espresso 5.4.0
Paolo Giannozzi
p.giannozzi at gmail.com
Sat Sep 17 08:28:22 CEST 2016
Currently you cannot use ESM together with FFT in the Intel MK library
(DFTI). Use FFTW or FFTW3 instead
Paolo
On Fri, Sep 16, 2016 at 10:08 PM, Nkosinathi Malaza <nuttymalaza at gmail.com>
wrote:
> Dear All,
>
> I am trying to run calculations using the ESM mode, the error message that
> I get in the output file is:
>
> Error in routine esm_cft_1z_init (1): no scalar fft driver specified
>
> How can I resolve this?
>
> Thank you
>
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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