[QE-users] dmat.exe error

Максим Чекулаев mchs89 at gmail.com
Thu Jul 2 06:13:05 CEST 2020


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
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