Error in routine qexsd_read_exx (4): fmt error

Run-time issues concerning Yambo that are not covered in the above forums.

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Peace
Posts: 21
Joined: Wed Jan 18, 2023 9:39 am

Error in routine qexsd_read_exx (4): fmt error

Post by Peace » Mon Apr 10, 2023 2:40 pm

I tried to use yambo 4.5.1 with quantum ESPRESSO 6.6 as this version seem to be stable. For QE I'm using hybrid functional. When I run p2y I get the following message in terminal:

Code: Select all

'/home/salma/Desktop/qe-6.6/yambo/bin/p2y'
Invalid MIT-MAGIC-COOKIE-1 key

 ___ __  _____  __ __  _____   _____
|   Y  ||  _  ||  Y  ||  _  \ |  _  |
|   |  ||. |  ||.    ||. |  / |. |  |
 \_  _/ |. _  ||.\_/ ||. _  \ |. |  |
  |: |  |: |  ||: |  ||: |   \|: |  |
  |::|  |:.|:.||:.|:.||::.   /|::.  |
  `--"  `-- --"`-- --"`-----" `-----"


 <---> DBs path set to .
 <---> detected QE data format: qexsd
 <---> == PWscf v.6.x generated data (QEXSD fmt) ==
 <---> Header/K-points/Energies... done
 <---> Cell data...
 <---> [WARNING]Two or more crystal structures fit the given cell
 <---> Axis vectors are left handed done
 <---> Atomic data... done
 <---> Symmetries...[SI no]...[I yes]...[-I no]...[TR yes]
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine qexsd_read_exx (4):
     fmt error
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 4.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
How can I solve that,please?
Salma NAIMI
PhD student
Mohamed 5 university-Rabat

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Daniele Varsano
Posts: 3813
Joined: Tue Mar 17, 2009 2:23 pm
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Re: Error in routine qexsd_read_exx (4): fmt error

Post by Daniele Varsano » Tue Apr 11, 2023 11:12 am

Dear Salma,

please update to a more recent version of yambo (5.1). If the problem persists please post here the error message and QE input file.
Please note that not all hybrid functionals are supported.

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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