Error in routine qexsd_read_gk
Posted: Tue Jul 06, 2021 6:24 pm
Hi, I'm getting this error when trying to generate the SAVE folder with p2y. I'm performing a convergence test to get the optical spectrum, but I get this routine error with meshes from 42x42x1 K-points. Up to 30x30x1 I managed to generate the SAVE folder successfully. can anybody help me?
I'm trying to generate using q.e v.6.3 and YAMBO version 4.5.2.
<01s> Cell data...
<02s> [WARNING]Two or more crystal structures fit the given cell done
<02s> Atomic data... done
<02s> Symmetries...[SI yes]......[-I yes]...[TR no]
<02s> XC functional...Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
<02s> EXX fraction... 0.000000
<02s> EXX screening... 0.000000
<02s> K-points mesh... done
<03s> RL vectors... done
<03s> IGK arrays...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine qexsd_read_gk (29):
fmt error
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
application called MPI_Abort(MPI_COMM_WORLD, 29) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=29
:
system msg for write_line failure : Bad file descriptor
I'm trying to generate using q.e v.6.3 and YAMBO version 4.5.2.
<01s> Cell data...
<02s> [WARNING]Two or more crystal structures fit the given cell done
<02s> Atomic data... done
<02s> Symmetries...[SI yes]......[-I yes]...[TR no]
<02s> XC functional...Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
<02s> EXX fraction... 0.000000
<02s> EXX screening... 0.000000
<02s> K-points mesh... done
<03s> RL vectors... done
<03s> IGK arrays...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine qexsd_read_gk (29):
fmt error
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
application called MPI_Abort(MPI_COMM_WORLD, 29) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=29
:
system msg for write_line failure : Bad file descriptor