Compiling yambo for a beginner

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.

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan, Nicola Spallanzani

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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
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milesj
Posts: 29
Joined: Thu Jan 26, 2023 9:27 pm

Compiling yambo for a beginner

Post by milesj » Sat Jan 28, 2023 12:47 am

The website gives simple instructions for compiling yambo with no options for the configure file, so I suspect that is where my issue lies. All I did was unpack the tar package of yambo 5.1.1, do ./configure then make all.

I've attached the inline error, as well as a screenshot of the end of the log file it references. I think my default compiler is icc, not 100% sure. I'm not sure what packages yambo needs to compile so I'm not sure if they were compiled with the same compiler. I have no clue what other issues there may be. Any help is appreciated. Let me know if more information is required.

Thanks!
-Miles
PhD candidate in Applied Physics at California Institute of Technology
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Miles Johnson
California Institute of Technology
PhD candidate in Applied Physics

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Nicola Spallanzani
Posts: 62
Joined: Thu Nov 21, 2019 10:15 am

Re: Compiling yambo for a beginner

Post by Nicola Spallanzani » Sat Jan 28, 2023 1:09 am

Dear Miles,
could you send the files log/compile_yambo.log and config/report, so I can try to better understand what is happening?

Best regards,
Nicola
Nicola Spallanzani, PhD
S3 Centre, Istituto Nanoscienze CNR and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu

milesj
Posts: 29
Joined: Thu Jan 26, 2023 9:27 pm

Re: Compiling yambo for a beginner

Post by milesj » Sun Jan 29, 2023 2:52 am

Hi Nicola,

I've attached the report file (with an added .txt so it would let me attach), and the compile_yambo.log file (as a zip file to fit the file size limit). Let me know what you think.

Thanks!
-Miles
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Miles Johnson
California Institute of Technology
PhD candidate in Applied Physics

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Daniele Varsano
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Re: Compiling yambo for a beginner

Post by Daniele Varsano » Mon Jan 30, 2023 8:51 am

Dear milesj,

please sign your post with your full name and affiliation, this is a rule of the forum and you can do once for all by filling the signature in your user profile.
I do not know if this is the only problem, but it seems you are mixing gfortran and intel compilers.
I suggest you to do a make distclean
and repeat the configure by adding the following line:

Code: Select all

make distclean
./configure CC=icc FC=ifort MPIFC=mpiifort MPIF77=ifort MPICC=mpiicc F77=ifort
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

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