[Pw_forum] pwscf version 4.3 example 15 error
xu yuehua
njuxuyuehua at gmail.com
Sat Jun 18 13:21:49 CEST 2011
Yes , it is error, i looked into the results/ and found in the alas.ph.out :
the error is labled red, I am puzzled what is the problem. thank you a lot
Program PHONON v.4.3 starts on 18Jun2011 at 17:13:43
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);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details
at
http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO
Parallel version (MPI), running on 1 processors
Ultrasoft (Vanderbilt) Pseudopotentials
Info: using nr1, nr2, nr3 values from input
Info: using nr1s, nr2s, nr3s values from input
Stick Mesh
----------
nst = 151, nstw = 61, nsts = 151
n.st n.stw n.sts n.g n.gw n.gs
min 151 61 151 1243 307 1243
max 151 61 151 1243 307 1243
151 61 151 1243 307 1243
Calculation of q = 0.0000000 0.0000000 0.0000000
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from io_pattern : error # 1
wrong iflag
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
2011/6/18 Paolo Giannozzi <giannozz at democritos.it>
>
> On Jun 18, 2011, at 11:29 , xu yuehua wrote:
>
> > i run the example 14 [...]the error information :
> >
> > /home/yxu/espresso-4.3/espresso-4.3/examples/example15
>
> 14 /= 15
>
> > running the response calculation...[unset]: aborting job:
> > application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0
>
> this is NOT the error message from the code. Look into results/
> for the output from the response calculation
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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--
Yuehua Xu
Group of Computational Condensed Matter Physics,
National Laboratory of Solid State Microstructures and Department of
Physics,
Nanjing University,
Nanjing 210093,
P. R. China
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