need help with p2y

[matteobertocchi]

I've compiled yambo/3.2.0/r.315 with the compilers intel/10.1 and openmpi/1.2.5/intel/10.1 on bcx at CINECA, where I use espresso-4.0.5 (compiled with the same compilers).

While yambo was compiled succesfully, p2y gives the output

"Illegal instruction"

when I try to use it. Where is the problem?
In the configuration I used:

./configure --with-iotk=/scratch/userinfm/cne1fm2t/BERTOCCHI/espresso-4.0.5/iotk --with-p2y=4.0 --with-fftw=/cineca/prod/libraries/fftw/3.1.2/intel--10.1/lib

with this output

# [VER] 3.2.0 r.315
#
# [SYS] linux@x86_64
# [SRC] /scratch/userinfm/cne1fm2t/BERTOCCHI/yambo-3.2.0-r.315
# [BIN] /scratch/userinfm/cne1fm2t/BERTOCCHI/yambo-3.2.0-r.315/bin
# [FFT] FFTW Fast Fourier transform
#
# [ ] Double precision
# [X] Redundant compilation
# [X] MPI
# [X] PW (4.0) support
# [ ] ETSF I/O support
# [ ] SCALAPACK
# [ ] NETCDF/Large Files
# [XX] Built-in BLAS/LAPACK
#
# [ CPP ] icc -E -ansi -P
# [ C ] icc -g -O2 -D_C_US -D_FORTRAN_US
# [MPICC] mpicc -g -O2 -D_C_US -D_FORTRAN_US
# [ F90 ] ifort -assume bscc -O3 -xT
# [MPIF ] mpif90 -assume bscc -O3 -xT
# [ F77 ] ifort -assume bscc -O3 -xT
# [Cmain] -nofor_main
# [NoOpt] -assume bscc -O0 -xT
#
# [ MAKE ] make
# [EDITOR] vim

Thanks,

Matteo Bertocchi

[Conor Hogan]

Dear Matteo (please add your affilliation to your profile!),

The problem should be the use of "-xT" in the optimization with ifort, which is a flag very specific to the newer Intel chips (SSE3 in particular). BCX uses AMD Opteron CPUs, so probably there is some conflict. Clean your yambo distribution, run configure as normal, and before doing "make", edit the config/setup file, changing the "-xT" to something more general - I think "-xW" should be ok for the Opteron - and then make yambo as normal.
If it works, you can avoid this procedure in future by specifying the optimization flags by hand using FCFLAGS="....".

This incorrect default setting was fixed in later versions of Yambo which you can access using subversion (see the web page for instructions).

Last: I urge you to use the netCDF libraries! It makes things a lot easier to debug, and you can then use your files on any architechture afterwards.

--with-netcdf=/cineca/prod/libraries/netCDF/3.6.2/intel--10.1/

Let me know if you still have problems.
All the best,
Conor

[matteobertocchi]

Thanks a lot,
you solved my problem!

All the best,

Matteo