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Compiling Yambo 5.2.1 petsc error

Posted: Fri Mar 29, 2024 2:04 pm
by aziz.ogutlu
Hi,
On Rocky Linux 8.6 HPC system we try to compile Yambo 5.2.1 version gives error about petsc. Configure and make steps are attached on file yambo_configure_make_log.txt.
compile_yambo.log and compile_petsc-3.17.4.log are attached too.

Re: Compiling Yambo 5.2.1 petsc error

Posted: Tue Apr 09, 2024 11:41 am
by Nicola Spallanzani
Dear Aziz,
I apologize for the very late response, but I encountered difficulties in reproducing the same error.

The issue is only seemingly caused by PETSc. In reality, the problem lies upstream with the compilation of LAPACK. If you check the file "log/compile_lapack-3.9.1.log", you should see that it complains about the lack of CMake.
To successfully compile LAPACK in shared mode (for PETSc), it is necessary to have CMake available. So, try installing or loading the CMake module and start the compilation from scratch. By starting from scratch, I mean deleting the YAMBO folder and recreating it by unpacking the tarball again.

Best,
Nicola

PS: please sign your post with your name and affiliation, this is a rule of the forum. You can do once for all by filling the signature in your user profile.

Re: Compiling Yambo 5.2.1 petsc error

Posted: Mon Apr 15, 2024 11:52 am
by aziz.ogutlu
Dear Nicola,

We had holiday and I could not look to issue until today. I followed your instruction and recompiled from scratch but I got same error about petsc on first message.

And libxc download link is broken on lib/archive/package.list file.
I'm editing libxc like below:
#url_libxc=https://www.tddft.org/programs/libxc/do ... all_libxc)
url_libxc=https://www.cp2k.org/static/downloads/$(tarball_libxc)

Best regards,
Aziz