Error compiling Yambo 5.2.1 with double precision
Posted: Tue Dec 17, 2024 7:34 pm
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
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