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yambo-code / yambo

This is the official GPL repository of the yambo code
http://www.yambo-code.eu/
GNU General Public License v2.0
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Yambo 4.5.2: p2y issue (fmt error) #33

Closed phz178387 closed 3 years ago

phz178387 commented 3 years ago

Dear All,

While running the executable "p2y" for generating input files for Yambo using output files of Quantum Espresso, I encountered this error:

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_symmetry (2): fmt problem

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... Abort(2) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 2) - process 0

Below are some details of our installation : QE 6.7 Intel MPI 2019 + intel mkl + fftw 3.3.8 + hdf5 1.10.4 (yambo 4.5.2 rev.171 - MPI+SLK)

@daniele-varsano @andrea-ferretti @andreamarini @sangallidavide

daniele-varsano commented 3 years ago

Dear, phz, for these kind of issues we suggest to use the yambo forum: http://www.yambo-code.org/forum/

Please see the answer poster there. Best, D.