I'm trying to make a BSE calculation following a GW calculation. The yambo executable stops with the error (I report also some previous lines)
[P 16] Kernel filling [o/o] 6.250000
[FFT-BSK] Mesh size: 20 9 39
[RD./SAVE//ns.wf]-------------------------------------------
Bands in each block : 174
Blocks : 4
- S/N 007895 ---------------------------- v.03.02.01 r.448 -
[WF loader] Normalization (few states) min/max :0.2547E-9 0.9594
[ERROR] STOP signal received while in :[05.01] Screneed interaction header I/O
[ERROR][NetCDF] NetCDF: Start+count exceeds dimension bound
By some debug I understood that the stop is in src/bse/K.F, in the line that, below, is bold/red
do iq_W=1,q%nibz
!
isc%qs(2)=iq_W
call scatterGamp(isc,'c')
!
call io_control(ACTION=RD_CL_IF_END,COM=NONE,SEC=(/2*iq_W,2*iq_W+1/),ID=XID)
ioX_err=ioX(X,Xw,XID)
!
forall(i2=1:BS_n_g_W) X_mat(i2,i2,1)=X_mat(i2,i2,1)+1.
The yambo was setup using the -o b -y d -N -V 4 options. Some relevant variables:
The DFT calculation was generated using Quantum-ESPRESSO v. 4.0.5. It has: nat=92, 348 electrons, 170 Ry cutoff, 696 bands, 8 k points.FFTGvecs= 2999
% BSEBands
165 | 184 | # [BSK] Bands range
BSENGBlk= 253
Do you think that might be an issue of my calculation, or something related, for example, to max. vector size in NETCDF libraries?
Any help is appreciated.
Thanks,
Giovanni