[QE-users] dmat.exe error

Paolo Giannozzi p.giannozzi at gmail.com
Thu Jul 2 09:03:11 CEST 2020


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Paolo

On Thu, Jul 2, 2020 at 6:13 AM Максим Чекулаев <mchs89 at gmail.com> wrote:

> Greetings,
>
> I'm trying to do dynmat.exe after ph.exe calculation and getting "Error in
> routine dynmat (1): reading input namelis".
>
> Here is the input:
> &input
> fildyn = 'matdyn'
> /
>
> and output:
>
>      Program DYNMAT v.6.2 starts on  2Jul2020 at  0:10:12
>
>      This program is part of the open-source Quantum ESPRESSO suite
>      for quantum simulation of materials; please cite
>          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
>          "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
>           URL http://www.quantum-espresso.org",
>      in publications or presentations arising from this work. More details
> at
>      http://www.quantum-espresso.org/quote
>
>      Parallel version (MPI & OpenMP), running on      12 processor cores
>      Number of MPI processes:                 1
>      Threads/MPI process:                    12
>
>      MPI processes distributed on     1 nodes
>
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine dynmat (1):
>      reading input namelist
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
>
> job aborted:
> [ranks] message
>
> [0] application aborted
> aborting MPI_COMM_WORLD (comm=0x44000000), error 1, comm rank 0
>
> Tried to do with "-in" before the input file, result is the same.
>
> What else should I write in the input file or in the command line to make
> this calculation?
>
> --
> With all the best wishes, Maksim Chekulaev
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
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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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