yambo 5.3.0 on macOS @arm

Having trouble compiling the Yambo source? Using an unusual architecture? Problems with the "configure" script? Problems in GPU architectures? This is the place to look.

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If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message
sitangshu
Posts: 196
Joined: Thu Jan 05, 2017 8:08 am

Re: yambo 5.3.0 on macOS @arm

Post by sitangshu » Mon Apr 28, 2025 6:39 am

Thanks, Murali, for pointing it out.
Yes, I can now compile this version, but without SLEPc. I found that when I use --enable-slepc-linalg, PETSc gets installed smoothly, but SLEPc is not fully installed. The configuration and compilation processes are successful, but the installation process somehow gets skipped. There is no install_slepc.log file. Probably because of this, the next process, FFTW, fails to compile.

Can you check this?

Regards,
Sitangshu
Sitangshu Bhattacharya
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/

batman
Posts: 17
Joined: Sun Jun 20, 2021 2:04 pm

Re: yambo 5.3.0 on macOS @arm

Post by batman » Mon Apr 28, 2025 10:22 am

Dear Sitangshu,

I cannot reproduce the issue on my macbook m1. Maybe you could share the full log directory here to see what is going wrong there.

Alternatively, since 5.3.0 version is working for you, you can fix the ypp bug by changing the line in file "include/driver
/kind.h"
from

Code: Select all

char long_desc[20][100];
to

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char long_desc[20][128];
then you can recompile the code

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make distclean
make -j8 core
Best regards,
Murali
Muralidhar Nalabothula
Doctoral student at Department of Physics and Materials Science,
Université du Luxembourg

sitangshu
Posts: 196
Joined: Thu Jan 05, 2017 8:08 am

Re: yambo 5.3.0 on macOS @arm

Post by sitangshu » Mon Apr 28, 2025 12:46 pm

Hi Murali,

SlepC installation is not working. I tried to change the kind.h line 47 and did a fresh installation of 5.3.0, but it is failing at fftw onwards. Here are the log files.
Please check.

Regards
Sitangshu
You do not have the required permissions to view the files attached to this post.
Sitangshu Bhattacharya
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/

batman
Posts: 17
Joined: Sun Jun 20, 2021 2:04 pm

Re: yambo 5.3.0 on macOS @arm

Post by batman » Mon Apr 28, 2025 1:18 pm

sitangshu wrote: Mon Apr 28, 2025 12:46 pm
SlepC installation is not working. I tried to change the kind.h line 47 and did a fresh installation of 5.3.0, but it is failing at fftw onwards. Here are the log files.
Regards
Sitangshu
Slepc is compiled successfully as shown in the log(not sure why you say it did not).
Install complete.
Now to check if the libraries are working do (in current directory):
====================================
you can also check if libslepc.a is present in

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lib/external/gfortran/mpif90/double/lib

For the fftw, you can install via homebrew

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brew install fftw
and give fftw path for the configure:

Code: Select all

--with-fft-path="/opt/homebrew/" 
Muralidhar Nalabothula
Doctoral student at Department of Physics and Materials Science,
Université du Luxembourg

sitangshu
Posts: 196
Joined: Thu Jan 05, 2017 8:08 am

Re: yambo 5.3.0 on macOS @arm

Post by sitangshu » Mon Apr 28, 2025 1:56 pm

Thanks Murli,

Fully functional now. Just to let you know, this installation was for the testing purpose. We have fully automatic process flow for all modules of QE+yambo at macOS or unix in bash.

Regards
Sitangshu
Sitangshu Bhattacharya
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/

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