Yambo Community Forum

Hello,

I was trying to compile yambo (3.4.1) withr PwScf support. The code compiles but configure fails to set up the PwScf support. As such p2y doesnt get compiled. In stead it creates a2y. I am trying to compile in a linux mint laptop.

My configure line is as follows:

./configure --prefix=`pwd` --enable-dp --with-iotk='/home/kopinjol/Research/PWSCF/espresso-5.1/bin' --with-p2y=5.0

and the summary of the configure output looks like this:

#
# [VER] 3.4.1 r.3187
#
# [SYS] linux@x86_64
# [SRC] /home/kopinjol/Research/YAMBO/yambo-3.4.1
# [BIN] /home/kopinjol/Research/YAMBO/yambo-3.4.1/bin
# [FFT] Goedecker Fast Fourier transform with 0 cache
#
# [X] Double precision
# [X] Redundant compilation
# [X] MPI
# [ ] OpenMP
# [ ] PW (5.0) support
# [ ] ETSF I/O support
# [ ] SCALAPACK
# [ ] NETCDF/HDF5/Large Files
# [XX ] Built-in BLAS/LAPACK/LOCAL
#
# [ CPP ] gcc -E -P
# [ C ] gcc -g -O2 -D_C_US -D_FORTRAN_US
# [MPICC] mpicc -g -O2 -D_C_US -D_FORTRAN_US
# [ F90 ] gfortran -O3 -mtune=native
# [MPIF ] mpif90 -O3 -mtune=native
# [ F77 ] gfortran -O3 -mtune=native
# [Cmain]
# [NoOpt] -O0 -mtune=native
#
# [ MAKE ] make
# [EDITOR] vim
#


As you can see the PwScf support option is not ticked. I would really appreciate any help with this.


Thanks you ,

Kopinjol

Dear Kopinjol,
one possibility is that the iotk library are not found in the path you have specified.
Are you sure they are in ...PWSCF/espresso-5.1/bin and not in PWSCF/espresso-5.1/iotk ?
Check it, and if still does not work, inspect the config.log and eventually post it.
Best,
Daniele

Hello Daniele,

Thanks for the reply. I had initially pointed --with-iotk to the symbolic link of iotk in the PwScf/bin directory. The script couldnot see the iotk because it was a symbolic link. So I pointed --with-iotk now to the actual location of iotk in the PwScf/S3DE/iotk/ directory. When I did that it started working. My code compiles now with p2y.

Thanks for the help,
Kopinjol