Compile yambo-5.0.1

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

Forum rules
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: 175
Joined: Thu Jan 05, 2017 8:08 am

Re: Compile yambo-5.0.1

Post by sitangshu » Tue May 04, 2021 1:40 pm

Thank you Andrea,

I updated the gcc-Fortran to 8.4.0 and tried make yambo for version 5.0.2. However, at the initial libxc stage it got stuck:

checking how to get verbose linking output from gfortran... -v
checking for Fortran libraries of gfortran... -L/data/apps/compilers/gcc/8.4.0/bin/../lib/gcc/x86_64-pc-linux-gnu/8.4.0 -L/data/apps/compilers/gcc/8.4.0/bin/../lib/gcc -L/data/apps/compilers/gcc/8.4.0/bin/../lib/gcc/x86_64-pc-linux-gnu/8.4.0/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/data/apps/compilers/gcc/8.4.0/bin/../lib/gcc/x86_64-pc-linux-gnu/8.4.0/../../.. -lgfortran -lm -lquadmath
checking for dummy main to link with Fortran libraries... none
checking for Fortran name-mangling scheme... lower case, underscore, no extra underscore
checking whether the compiler accepts very long lines... yes
checking whether the compiler accepts "line-number" lines cast by the preprocessor... yes
checking fortran 90 modules extension... mod
checking for the size of a Fortran integer... configure: error: in `/home/sitangshu/data_hpc/softwares/yambo-5.0.2/lib/libxc/libxc-2.2.3':
configure: error: f90 program to find the size of a Fortran integer failed
See `config.log' for more details
make[2]: *** [configure-stamp] Error 1
make[2]: Leaving directory `/data_hpc/home/sitangshu/softwares/yambo-5.0.2/lib/libxc'
make[1]: *** [libxc] Error 2
make[1]: Leaving directory `/data_hpc/home/sitangshu/softwares/yambo-5.0.2'
libxc build failed

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/

andrea.ferretti
Posts: 206
Joined: Fri Jan 31, 2014 11:13 am

Re: Compile yambo-5.0.1

Post by andrea.ferretti » Tue May 04, 2021 4:51 pm

Hi there,

I think this is a problem of the installation. Is gfortran pointing to the right executable ?
do you have two versions of the gcc software stack ?
Andrea Ferretti, PhD
CNR-NANO-S3 and MaX Centre
via Campi 213/A, 41125, Modena, Italy
Tel: +39 059 2055322; Skype: andrea_ferretti
URL: http://www.nano.cnr.it

sitangshu
Posts: 175
Joined: Thu Jan 05, 2017 8:08 am

Re: Compile yambo-5.0.1

Post by sitangshu » Tue May 04, 2021 7:20 pm

Hi Andrea,

Thanks! I got the fix, seems to be working with a less gcc version.

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/

Post Reply