I am probably facing an issue with the compilation of Yambo 4.3.3. I was using the same with GCC before and it is still working fine. But now I have compiled it with ifort to see if any improvement in speed. Apparently it was successful in the compilation process. But when I try to do a calculation, segmentation fault error comes in!
I am attaching the report file and here is the result on the shell :
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<---> [01] CPU structure, Files & I/O Directories
<---> [02] CORE Variables Setup
<---> [02.01] Unit cells
<---> [02.02] Symmetries
<---> [02.03] RL shells
<---> [02.04] K-grid lattice
<---> [02.05] Energies [ev] & Occupations
<---> [03] Transferred momenta grid
<---> [RL indx] Q-grid:User defined / from ndb.kindx.
<---> X indexes |########################################| [100%] --(E) --(X)
<---> SE indexes |########################################| [100%] --(E) --(X)
<---> [04] Response Functions in Transition space
<---> [04.01] Transition Groups build-up
<---> [04.02] CPU-dependent Block structure
<---> [BSK] Size (resonant) 2048
<---> [BSK] (total) 2048
<---> [04.03] Independent Particles absorption
<---> [DIP] Checking dipoles header
<---> [04.04] Bethe-Salpeter (Resonant CORRRELATION EXCHANGE)
<---> [WARNING] Hartree S/K FFT size is too big. NG_H reduced: 14841 --> 5029
<---> [WARNING] Bigger FFT discarded to avoid slow XC S/K computation.
<---> [04.04.01] Screened interaction header I/O
<---> [WF] Performing Wave-Functions I/O from ./SAVE
<---> [FFT-BSK] Mesh size: 24 24 24Segmentation fault
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./configure FC=ifort F77=ifort CC=icc --enable-msgs-comps --with-lapack-libs=${MKLROOT}/lib/intel64 --with-fft-libs=${MKLROOT}/lib/intel64 --with-blas-libs=${MKLROOT}/lib/intel64 --with-scalapack-libs=${MKLROOT}/lib/intel64 --with-netcdf-lib=/mnt/datadrive/transferdata/packages/NetCDF/installation/lib
Any solution or suggestion will be appreciated in this regard.
Regards,
Haseeb Ahmad,
MS - Physics
LUMS - Pakistan.