Installing yambo

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
aalbrak
Posts: 10
Joined: Mon Apr 03, 2017 7:41 am

Installing yambo

Post by aalbrak » Mon Apr 03, 2017 11:14 am

Dear sir

I hope you have a good time,

I tried to install yambo in my personal computer (imac, Intel core i7, 32 GB, osx10.8.5, ). please see the attached file.

Best wishes

Umm Al-Qura University
Saudi Arabia
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Daniele Varsano
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Re: Installing yambo

Post by Daniele Varsano » Mon Apr 03, 2017 11:42 am

Dear Aalbrak,

it seems that Netcdf library are compiled with a different compiler you are compiling yambo:

Code: Select all

ifort: command line warning #10159: invalid argument for option '-mtune'
mod_pars.f90(28): error #7013: This module file was not generated by any
    release of this compiler.   [NETCDF]
I can see that you are using both gfortran and ifort.
In order to solve your problem, you can have a look to this thread:
viewtopic.php?f=1&t=1200&p=5665&hilit=n ... real#p5665

Hopefully, you can solve the problem simply specifying the compiler in the configure.
./configure FC=ifort (o gfortran)

I suggest you check to which compiler points your mpif90

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/

aalbrak
Posts: 10
Joined: Mon Apr 03, 2017 7:41 am

Re: Installing yambo

Post by aalbrak » Mon Apr 03, 2017 6:47 pm

Dear Daniele,

Thank you very much for your responding,

I try the following steps:

-make clean_all

-./configure FC=ifort

-make all

still there are problems. the result is attached .

Best wishes,

Umm Al-Qura University
Saudi Arabia
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Daniele Varsano
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Re: Installing yambo

Post by Daniele Varsano » Tue Apr 04, 2017 8:46 am

Dear Aalbrak,
I do not know if this is the problem but you are mixing intel fortran compiler and C gnu compiler.
Moreover you are compiling yambo_kerr, yambo_ph...etc, instead of yambo.
My suggestion is to define also the C compilers:
make distclean,
./configure FC=ifort, CC=icc, CPP="icc -E"
make yambo interfaces ypp

Alternatively, you can use the gnu fortran compiler:
./configure F90=gfortran CPP=cpp CC=gcc
or
./configure F90=gfortran CPP="gcc -E" CC=gcc

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/

aalbrak
Posts: 10
Joined: Mon Apr 03, 2017 7:41 am

Re: Installing yambo

Post by aalbrak » Tue Apr 04, 2017 5:22 pm

Dear Daniele,

Thank you very much,

I tried the three suggestions and still there are problems. The attached files are the screen copies and config.log of three tries (I named try11,12,13).

Because of limitation, only three files are attached. The other three files will be next

Best wishes
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aalbrak
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Re: Installing yambo

Post by aalbrak » Tue Apr 04, 2017 5:26 pm

Dear Daniele,

The other three files are attached.

Thank you in advance

Umm Al-Qura University
Saudi Arabia
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Daniele Varsano
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Re: Installing yambo

Post by Daniele Varsano » Wed Apr 05, 2017 10:16 am

Dear Aalbrak,

from the first attempt it looks that you do not have the icc compiler, so you need to resort to gnu compiler.
The second and third attempts have been done without doing a make distclean, so you have conflict arising from the xclibrary, so try again after a make distclean.

When defining the cpp do not forget to put it between quotation: CPP="gcc -E"

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/

aalbrak
Posts: 10
Joined: Mon Apr 03, 2017 7:41 am

Re: Installing yambo

Post by aalbrak » Wed Apr 05, 2017 12:38 pm

Dear Daniele,

Thank you,

I have done what you point to as shown below

-make distclean
-./configure F90=gfortran CPP="gcc -E" CC=gcc
-make yambo interfaces ypp

The results are in two attached files (screen copy, config.log)

Best wishes
aalbrak
Umm Al-Qura University
Saudi Arabia
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Daniele Varsano
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Re: Installing yambo

Post by Daniele Varsano » Wed Apr 05, 2017 2:17 pm

Hello,

again with:

Code: Select all

ifort: command line warning #10159: invalid argument for option '-mtune'
mod_pars.f90(28): error #7013: This module file was not generated by any
    release of this compiler.   [NETCDF]
 use netcdf
I cannot understand why it is calling ifort.
What is the outcome of
> mpif90 --version
and
>mpicc --version

May some other can help you on this,
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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Davide Sangalli
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Re: Installing yambo

Post by Davide Sangalli » Wed Apr 05, 2017 5:38 pm

Dear Aalbrak,
can you also post the result of "mpif90 -show"

Best,
D.
Davide Sangalli, PhD
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/

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