Error in routine qexsd_read_planewaves
Posted: Tue May 21, 2019 9:26 pm
Hi everyone,
I am a new yambo user. I am using yambo/4.3.2.
I followed the SiH4 Tutorials (http://www.yambo-code.org/tutorials/index.php).
First I ran the "scf" and the "nscf" calculations on the 'pw_scf.in' file in 'Pwscf' directory, using q-e/6.4.1.
Then I moved in the 'SiH4.save' directory to generate the database.
I used the command line: p2y -N -b 40 -F data-file-schema.xml and I got this error message
___ __ _____ __ __ _____ _____
| Y || _ || Y || _ \ | _ |
| | ||. | ||. ||. | / |. | |
\_ _/ |. _ ||.\_/ ||. _ \ |. | |
|: | |: | ||: | ||: | \|: | |
|::| |:.|:.||:.|:.||::. /|::. |
`--" `-- --"`-- --"`-----" `-----"
<---> DBs path set to .
<---> detected QE data format: qexsd-hdf5
<---> == PWscf v.6.x generated data (QEXSD-HDF5 fmt) ==
<---> Header/K-points/Energies...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine qexsd_read_planewaves (2):
fmt problem I
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
Attempting to use an MPI routine before initializing MPI
Kind regards,
Conrard TETSASSI
----------------------------------------------------------
Conrard Giresse Tetsassi Feugmo, PhD
Post-Doctoral Associate
SoftSimu Group - Maths & Physics of Complex Systems
Department of Chemistry
Chemistry Building, Room 003, Dock II
University of Western Ontario
1151 Richmond Street N,
London, ON Canada, N6A 5B7
I am a new yambo user. I am using yambo/4.3.2.
I followed the SiH4 Tutorials (http://www.yambo-code.org/tutorials/index.php).
First I ran the "scf" and the "nscf" calculations on the 'pw_scf.in' file in 'Pwscf' directory, using q-e/6.4.1.
Then I moved in the 'SiH4.save' directory to generate the database.
I used the command line: p2y -N -b 40 -F data-file-schema.xml and I got this error message
___ __ _____ __ __ _____ _____
| Y || _ || Y || _ \ | _ |
| | ||. | ||. ||. | / |. | |
\_ _/ |. _ ||.\_/ ||. _ \ |. | |
|: | |: | ||: | ||: | \|: | |
|::| |:.|:.||:.|:.||::. /|::. |
`--" `-- --"`-- --"`-----" `-----"
<---> DBs path set to .
<---> detected QE data format: qexsd-hdf5
<---> == PWscf v.6.x generated data (QEXSD-HDF5 fmt) ==
<---> Header/K-points/Energies...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine qexsd_read_planewaves (2):
fmt problem I
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
Attempting to use an MPI routine before initializing MPI
Kind regards,
Conrard TETSASSI
----------------------------------------------------------
Conrard Giresse Tetsassi Feugmo, PhD
Post-Doctoral Associate
SoftSimu Group - Maths & Physics of Complex Systems
Department of Chemistry
Chemistry Building, Room 003, Dock II
University of Western Ontario
1151 Richmond Street N,
London, ON Canada, N6A 5B7