[QE-developers] QE bug report: q2r.x vs OpenMP

[Paolo Giannozzi]

I run your script and cannot reproduce your results: the output and 
force constant files of the OpenMP version of q2r.x are the same as for 
the non-OpenMP version (Intel OneAPI compiler).

Paolo

On 4/29/2026 2:51 PM, V A wrote:
> 
> Dear all,
> 
> q2r.x does not work properly with OpenMP. The resulting phonon 
> dispersion for the SrTiO3 crystal, as an example, is included in the 
> attachment along with the source files used.
> 
> Best regards,
> Veniamin
> 
> 
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216