[Pw_forum] ESM error in qe 6.0

Alessandra Satta alessandra.satta2015 at gmail.com
Sat Dec 17 12:48:17 CET 2016


Dear QE-users, 
I’m currently having the same error message mentioned below (Error in routine esm_cft_1z_init (1): no scalar fft driver specified) in the qe 6.0 version. Same kind of calculation (ESM). 
Trying to follow Paolo’s suggestion but unable to have a successful compilation on cineca’s MARCONI (or GALIEO). My fault I guess, I’m not loading the right modules. 
Is there a (week-end worker).and.(CINECA user)  having a make.inc suited for CINECA’s libraries that includes scalar FFTs. 
I would very much appreciate it,. Thank you, 
   alessandra 

 Alessandra Satta
CNR-IOM UOS Cagliari
c\o Dipartimento di Fisica dell’Universita' di Cagliari
Cittadella Universitaria - SP Monserrato-Sestu Km. 0,700
I-09042 - Monserrato (CA)
Tel.: +39 070 675 4865
Fax : +39 070 675 4892


> On 17 Sep 2016, at 08:28, Paolo Giannozzi <p.giannozzi at gmail.com <mailto:p.giannozzi at gmail.com>> wrote:
> 
> 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 <mailto: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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