p2y cannot run

You can post here problems arising when using the devel release of Yambo. Issues as parallelization strategy, performance issues and other technical aspects realted to the new release.

Moderators: Daniele Varsano, andrea.ferretti, andrea marini, Conor Hogan, myrta gruning

p2y cannot run

Postby 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
Longjun Xiang
 
Posts: 18
Joined: Tue May 07, 2019 9:53 am

Re: p2y cannot run

Postby 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/
User avatar
Daniele Varsano
 
Posts: 1996
Joined: Tue Mar 17, 2009 2:23 pm


Return to Yambo version 4.0

Who is online

Users browsing this forum: No registered users and 1 guest

cron