yamboo-4.2.1

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

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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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sky-zhou
Posts: 8
Joined: Mon Feb 19, 2018 12:32 pm

yamboo-4.2.1

Post by sky-zhou » Mon Feb 19, 2018 12:41 pm

I am compling yamboo on a natinoal supercomputer, but always some errors. The error report is
"
configure: error: cannot find sources (include/netcdf.h) in . or ..
make[1]: *** [configure-stamp] Error 1
make[1]: Leaving directory `/ccc/work/cont003/gen0544/zhoujg/work-yamboo/yambo-4.2.1/lib/netcdf'
make: *** [ext-libs] Error 2
"
My configure commend is
"
./configure FC=ifort MPIF77=mpif90 F77=ifort CC=icc --with-fft-path="/ccc/products/fftw3-3.3.4/default" --with-fftw3="/usr/local/fftw3-3.3.4/" --with-lapack-libs="-L/ccc/products/intel-14.0.3.174/default/14.0.3.174/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core" --with-blas-libs="-L/ccc/products/intel-14.0.3.174/default/14.0.3.174/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core"
"

Could some one tell me how to solve this problem?

Many thanks!

Sky
Jianqiang Sky ZHOU
Institut des NanoSciences de Paris (INSP)
European Theoretical Spectroscopy Facility

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Daniele Varsano
Posts: 3816
Joined: Tue Mar 17, 2009 2:23 pm
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Re: yamboo-4.2.1

Post by Daniele Varsano » Mon Feb 19, 2018 1:30 pm

Dear Sky,
can you please upload your config.log file?

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/

sky-zhou
Posts: 8
Joined: Mon Feb 19, 2018 12:32 pm

Re: yamboo-4.2.1

Post by sky-zhou » Mon Feb 19, 2018 1:42 pm

Daniele Varsano wrote:Dear Sky,
can you please upload your config.log file?

Best,
Daniele
Dear Daniele,

Here attached it is the config.log file.

Many thanks!

Sky
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Jianqiang Sky ZHOU
Institut des NanoSciences de Paris (INSP)
European Theoretical Spectroscopy Facility

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Daniele Varsano
Posts: 3816
Joined: Tue Mar 17, 2009 2:23 pm
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Re: yamboo-4.2.1

Post by Daniele Varsano » Mon Feb 19, 2018 2:16 pm

Dear Sky,
I can't find anything wrong with your configuration, besides the fact you are using a quite old version of the intel compilers.
Just a question, have you tried previous compilation with different options? In this case, have you done a make clean_all before recompiling?
In this case, you can do make clean_all configure again and try to recompile.

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/

sky-zhou
Posts: 8
Joined: Mon Feb 19, 2018 12:32 pm

Re: yamboo-4.2.1

Post by sky-zhou » Mon Feb 19, 2018 2:27 pm

Dear Daniele,

I am using the default inter compiler in this national computer "intel/14.0.3.174(default)". Every time I try a different compile process, I do "make clean" first, instead the "make clean_all" you have suggested... I will try again and tell you what happens.

Thank you very much for your fast reply!

Cheers,

Sky

Daniele Varsano wrote:Dear Sky,
I can't find anything wrong with your configuration, besides the fact you are using a quite old version of the intel compilers.
Just a question, have you tried previous compilation with different options? In this case, have you done a make clean_all before recompiling?
In this case, you can do make clean_all configure again and try to recompile.

Best,
Daniele
Jianqiang Sky ZHOU
Institut des NanoSciences de Paris (INSP)
European Theoretical Spectroscopy Facility

sky-zhou
Posts: 8
Joined: Mon Feb 19, 2018 12:32 pm

Re: yamboo-4.2.1

Post by sky-zhou » Mon Feb 19, 2018 3:27 pm

Dear Daniele,

After "make clean_all" the code is compiled successfully! Thank you very much for your help!

All the best,
Sky

Daniele Varsano wrote:Dear Sky,
I can't find anything wrong with your configuration, besides the fact you are using a quite old version of the intel compilers.
Just a question, have you tried previous compilation with different options? In this case, have you done a make clean_all before recompiling?
In this case, you can do make clean_all configure again and try to recompile.

Best,
Daniele
Jianqiang Sky ZHOU
Institut des NanoSciences de Paris (INSP)
European Theoretical Spectroscopy Facility

User avatar
Daniele Varsano
Posts: 3816
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: yamboo-4.2.1

Post by Daniele Varsano » Mon Feb 19, 2018 3:48 pm

Great!
Have fun with Yambo!

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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