[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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