compilation error!

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
vasp84
Posts: 20
Joined: Wed Feb 10, 2016 12:56 am

Re: compilation error!

Post by vasp84 » Tue Feb 16, 2016 4:06 pm

see the error msg:
configure: error: unrecognized option: `--wth-fft-libs=-mkl'
Jaret Qi
Ph.D candidate
NMSU-USA

andrea.ferretti
Posts: 214
Joined: Fri Jan 31, 2014 11:13 am

Re: compilation error!

Post by andrea.ferretti » Tue Feb 16, 2016 4:07 pm

--with-fft-libs="-mkl"
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

vasp84
Posts: 20
Joined: Wed Feb 10, 2016 12:56 am

Re: compilation error!

Post by vasp84 » Tue Feb 16, 2016 4:09 pm

Ohh sorry, missing I.
It is going now then I hit make yambo. we will see
Jaret Qi
Ph.D candidate
NMSU-USA

vasp84
Posts: 20
Joined: Wed Feb 10, 2016 12:56 am

Re: compilation error!

Post by vasp84 » Tue Feb 16, 2016 4:15 pm

ERROR:
>>>[Making wf_and_fft]<<<
make[1]: Entering directory `/home/yambo/yambo-stable/src/wf_and_fft'
fft_setup.F fft_3d.F sgfft.F(18): error: incorrectly formed universal character name
! Fourier Transform, Comp. Phys. Commun. \underline{76}, 294 (1993)
^

make[1]: *** [sgfft.o] Error 2
make[1]: Leaving directory `/home/yambo/yambo-stable/src/wf_and_fft'
make: *** [yambo] Error 2
Jaret Qi
Ph.D candidate
NMSU-USA

andrea.ferretti
Posts: 214
Joined: Fri Jan 31, 2014 11:13 am

Re: compilation error!

Post by andrea.ferretti » Tue Feb 16, 2016 4:23 pm

if FFTW were correctly found by yambo this should not happen...
did you do a make clean_all before reconfiguring and re-compiling ?

check your config.log (and config/report and config/setup) to see whether FFTW have been recognised or not..
If Goedecker FFTs (sgfft) have been found instead (as a default) it means FFTW have not been recognized
Do you have mil libs in your path ?

Andrea
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

vasp84
Posts: 20
Joined: Wed Feb 10, 2016 12:56 am

Re: compilation error!

Post by vasp84 » Tue Feb 16, 2016 5:50 pm

Yes I did make clean_all.
but where to find config/report and config/setup?
how to check this: Do you have mil libs in your path ?
I am attaching the .log file that appear in the home dir of yambo.

It says files is too big!
Jaret Qi
Ph.D candidate
NMSU-USA

andrea.ferretti
Posts: 214
Joined: Fri Jan 31, 2014 11:13 am

Re: compilation error!

Post by andrea.ferretti » Tue Feb 16, 2016 6:08 pm

the files I mnention before are

yambo/config/setup
yambo/config/report

where yambo is the release main directory.
Is config.log too large ? (strange)
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

vasp84
Posts: 20
Joined: Wed Feb 10, 2016 12:56 am

Re: compilation error!

Post by vasp84 » Tue Feb 16, 2016 6:34 pm

see the attached files;
You do not have the required permissions to view the files attached to this post.
Jaret Qi
Ph.D candidate
NMSU-USA

andrea.ferretti
Posts: 214
Joined: Fri Jan 31, 2014 11:13 am

Re: compilation error!

Post by andrea.ferretti » Tue Feb 16, 2016 6:43 pm

Hi Jarek,

your intel compiler is very old (ifort (IFORT) 10.1 20080602), and this is probably the reason why -mkl
is not a recognised option.
now:

* since we are fort 16.x, I strongly recommend to upgrade your intel compiler (a number of problems we see
now could be miscompilations)
* if you want to link FFTW, either you use those from MKL (though you need to check what are the proper
linking flags of your version)
* otherwise you can install fftw3 if you haven't them already on your computer (it is not too difficult to do)
and link them directly
--with-fft-libs="-L/dir-where-fftw-is -lfftw3 " or similar

hope it helps
Andrea
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

vasp84
Posts: 20
Joined: Wed Feb 10, 2016 12:56 am

Re: compilation error!

Post by vasp84 » Tue Feb 16, 2016 6:46 pm

Thank you Andrea. I need to talk with my adviser coz he is the admin.
Jaret Qi
Ph.D candidate
NMSU-USA

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