Error when compiling with ETSF

Having trouble compiling the Yambo source? Using an unusual architecture? Problems with the "configure" script? This is the place to look.

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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
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(5) the relevant compiler error message

Error when compiling with ETSF

Postby 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
dulak
 
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Re: Error when compiling with ETSF

Postby 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".
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Re: Error when compiling with ETSF

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

Re: Error when compiling with ETSF

Postby 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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Re: Error when compiling with ETSF

Postby 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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