Error compiling Yambo 5.2.1 with double precision

[AzulineSky]

Hi there,

I have already successfully installed a working version of Yambo 5.2.1 using the Intel 2017 compiler (I know they are old). Our group wants to use the MPA for GW calculations where "--enable-dp" is needed.
However, after configuring with "--enable-dp", yambo compiles without errors and creates a working executable. However, the compilation fails in the next step, where ypp is compiled, with the following error message

/home/magr4985/Apps/yambo-5.2.1_dp/lib/libypp_Ydriver_main.a(launcher.o): In function `launcher':
launcher.c:(.text+0xe1): undefined reference to `yambo_'.

I used the following configure setting:

./configure CC=icc FC=ifort F77=ifort MPIFC=mpiifort MPIF77=mpiifort MPICC=mpiicc --prefix=/home/magr4985/Apps/yambo-5.2.1_dp/ --enable-mpi --with-blacs-libs=mkl --with-scalapack-libs=mkl --enable-memory-profile --with-libxc-libdir=/home/magr4985/Apps/libxc-5.2.3/lib --with-libxc-path=/home/magr4985/Apps/libxc-5.2.3 --with-libxc-includedir=/home/magr4985/Apps/libxc-5.2.3/include --enable-dp

(Again, without the "--enable-dp" everything works.)

I have attached the complete compilation logs.

Thanks for your help!

Best regards,
Max

[Nicola Spallanzani]

Dear Max,
I was not able to replicate your issue. Could you try to compile from scratch? So run the commands

Code: Select all

make distclean

./configure CC=icc FC=ifort F77=ifort MPIFC=mpiifort MPIF77=mpiifort MPICC=mpiicc --prefix=/home/magr4985/Apps/yambo-5.2.1_dp/ --enable-mpi --with-blacs-libs=mkl --with-scalapack-libs=mkl --enable-memory-profile --with-libxc-libdir=/home/magr4985/Apps/libxc-5.2.3/lib --with-libxc-path=/home/magr4985/Apps/libxc-5.2.3 --with-libxc-includedir=/home/magr4985/Apps/libxc-5.2.3/include --enable-dp

make core

Best,
Nicola