p2y cannot run

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Longjun Xiang
Posts: 28
Joined: Tue May 07, 2019 9:53 am

p2y cannot run

Post by Longjun Xiang » Wed Jul 31, 2019 2:59 pm

Dear developers:

When I run p2y to generate the SAVE database, I obtain the following error messages:

[xianglj@HPC-login MoS2_2D.save]$ p2y


_| _| _|_| _| _| _|_|_| _|_|
_| _| _| _| _|_| _|_| _| _| _| _|
_| _|_|_|_| _| _| _| _|_|_| _| _|
_| _| _| _| _| _| _| _| _|
_| _| _| _| _| _|_|_| _|_|



<---> DBs path set to .
<---> detected QE data format: qexsd
<---> == PWscf v.6.x generated data (QEXSD fmt) ==
<---> Header/K-points/Energies...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine qexsd_read_planewaves (2):
fmt problem I
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

stopping ...
application called MPI_Abort(MPI_COMM_WORLD, 2) - process 0

What's the origin of the error and how to fix it? Thanks in advance.
Dr. Longjun Xiang
School of Physical Science and Technology, ShanghaiTech University, China

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Daniele Varsano
Posts: 2149
Joined: Tue Mar 17, 2009 2:23 pm
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Re: p2y cannot run

Post by Daniele Varsano » Wed Jul 31, 2019 4:17 pm

Dear Longjun,
it seems a format problem,
you can have a look to this thread:
http://www.yambo-code.org/forum/viewtopic.php?f=7&t=1579
and see if the patch contained it works for you.

Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

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