Error when compiling with ETSF

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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dulak
Posts: 2
Joined: Mon Nov 15, 2010 1:14 pm

Error when compiling with ETSF

Post by dulak » Mon Nov 15, 2010 2:08 pm

Hi,

i'm bulding yambo-3.2.3-rev.11/etsf_io-1.0.3 on CentOS 5 with:
1) gfortran43
2) x86_64, Intel Nehalem
First, the --with-etsf=<path> configure flag is not flexible enough;
i need to patch the configure with:
sed -i "s<with_etsf/lib/libetsf_io<with_etsf/lib64/libetsf_io<g" config/configure.ac
sed -i "s<with_etsf/include/intel<with_etsf/include<g" config/configure.ac
but still there is an error:
>>>[Linking e2y]<<<
make[1]: Entering directory `/scratch/rpmbuild/yambo-3.2.3-rev.11/interfaces/e2y'
etsf_data.F e2y_i.F e2y_db1.f90:380.17:

default_Tel = temperature_ ! type conversion
1
Error: Symbol 'default_tel' at (1) has no IMPLICIT type
make[1]: *** [e2y_db1.o] Error 1
make[1]: Leaving directory `/scratch/rpmbuild/yambo-3.2.3-rev.11/interfaces/e2y'
make: *** [interfaces] Error 2

Best regards,

Marcin

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Conor Hogan
Posts: 111
Joined: Tue Mar 17, 2009 12:17 pm
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Re: Error when compiling with ETSF

Post by Conor Hogan » Mon Nov 15, 2010 7:55 pm

Hi Marcin,
As you can guess, the e2y interface has not been used so much, so a few bugs have crept in during development.
In the next repository release these issues will be fixed.
In the meantime you can just replace "default_Tel" with "input_GS_Tel" on line 444 of interfaces/e2y/e2y_db1.F.

Thanks for your interest in e2y...can I ask why you are using it?
Regards
Conor
Dr. Conor Hogan
CNR-ISM, via Fosso del Cavaliere, 00133 Roma, Italy;
Department of Physics and European Theoretical Spectroscopy Facility (ETSF),
University of Rome "Tor Vergata".

dulak
Posts: 2
Joined: Mon Nov 15, 2010 1:14 pm

Re: Error when compiling with ETSF

Post by dulak » Tue Nov 16, 2010 11:21 am

Hi,

thanks, after the change it compiles.
We are trying to generate etsf files using our code https://wiki.fysik.dtu.dk/gpaw and pass them to yambo.

Marcin

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andrea marini
Posts: 325
Joined: Mon Mar 16, 2009 4:27 pm
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Re: Error when compiling with ETSF

Post by andrea marini » Tue Nov 16, 2010 11:29 am

Hi Marcin! We have also another member of the board (Thomas Olsen) that already contacted us to interface yambo with GPAW. We have opened a dedicated section of the forum for this purpose. I invite you to write any GPAW specific question there so that we can all help you. Nice to have you on-board!

The sub-forum is here. I will shortly give you access to it.

Andrea

P.S.: Please edit your signature with your full name and affiliation. It is a simple rule we kindly ask to all members. THX.
Andrea MARINI
Istituto di Struttura della Materia, CNR, (Italy)

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Conor Hogan
Posts: 111
Joined: Tue Mar 17, 2009 12:17 pm
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Re: Error when compiling with ETSF

Post by Conor Hogan » Tue Nov 16, 2010 12:24 pm

Just in case someone else browses this forum: I have fixed the bug in e2y_db1.F and also changed configure to accept --with-etsf-io-lib and --with-etsf-io-include flags. The changes will appear in the next commit to the repository.
Dr. Conor Hogan
CNR-ISM, via Fosso del Cavaliere, 00133 Roma, Italy;
Department of Physics and European Theoretical Spectroscopy Facility (ETSF),
University of Rome "Tor Vergata".

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