[QE-users] dmat.exe error
Paolo Giannozzi
p.giannozzi at gmail.com
Thu Jul 2 09:03:11 CEST 2020
Are you working on windows? be careful with single quotes (') vs inverted
quotes (`) vs apostrophe ( ’)
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)
> users mailing list users at lists.quantum-espresso.org
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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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