Configure error on Mac

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.

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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
klayman
Posts: 3
Joined: Sat Mar 13, 2010 8:39 am

Configure error on Mac

Post by klayman » Tue Mar 16, 2010 10:17 am

Dear all,

I've tried to compile Yambo on Mac OS 10.6 with no success - I've got an error while configuring. I used gcc+gfortran and the latest Yambo 3.2.1 (r.448).

I have successfully compiled QE (pwscf) and many other programs with these GNU compilers, but for Yambo on "./configure" without any options I got the following error:

Code: Select all

configure: testing preprocessor gcc -E -P
checking if precompiler works on C source... yes
checking if precompiler works on F90 source... no
configure: error: Found precompiler problems in processing the F90/C source.
When I tried some options (e.g. FCFLAGS='-O3 -x f95-cpp-input' - the same as for Espresso), I got the different one:

Code: Select all

checking for external C routine (test) naming scheme... unknown
configure: error: unknown Fortran <-> C subroutines name conventions
Could you help me with compiler flags (or any other options)?

Thanks
Semyon Filippov
Faculty of Physics,
Kemerovo State University,
Russia

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Daniele Varsano
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Re: Configure error on Mac

Post by Daniele Varsano » Tue Mar 16, 2010 10:25 am

Dear Semyon,

it looks a problem of precompiler, I use to compile Yambo, but on a Tiger 10.4
and I use this precompiler without any problem:
CPP=/usr/bin/cpp-4.0
so try to add in your configure option:
./configure ... CPP=/usr/bin/cpp-4.0
...or the path you have the cpp executable.
and it should work. Next you could have some problem linking lapack and blas in
compilation, in this case let us know, it is a problem that can easily solved.

Hope it helps,

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/

klayman
Posts: 3
Joined: Sat Mar 13, 2010 8:39 am

Re: Configure error on Mac

Post by klayman » Tue Mar 16, 2010 11:02 am

:shock: Thank you for so fast reply! That's it - many thanks!

And you are right - now I've some problems with linking. I don't know whether this is due to lapack and blas libraries (I've tried to use those bundled with QE), but I got the following:

Code: Select all

Undefined symbols:
  "_dlaran_", referenced from:
      ___logo_MOD_pickup_a_random in libmodules.a(mod_logo.o)
      _rim_ in libcoulomb.a(rim.o)
ld: symbol(s) not found
Thanks again!
Semyon Filippov
Faculty of Physics,
Kemerovo State University,
Russia

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Daniele Varsano
Posts: 4198
Joined: Tue Mar 17, 2009 2:23 pm
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Re: Configure error on Mac

Post by Daniele Varsano » Tue Mar 16, 2010 11:09 am

Ok, this is a known problem and we will fix it soon.
There is a problem in the generated Makefile, even if you have compiled the self-contained blas and lapack,
where the dlaran subroutine is included, they are not linked properly.
Anyway for the moment you can solve it by hand:
go in ./driver/Makefile, edit it and change these two lines in this way:

lblas = ../lib/libblas.a
llapack = ../lib/liblapack.a

then just type make (in the driver directory), you will find the executable in the ./yambo/bin directory.
The same have to be done when compiling the interfaces and the post processing ypp, you have to edit
the makefile in the corresponding directory.


Cheers,


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/

klayman
Posts: 3
Joined: Sat Mar 13, 2010 8:39 am

Re: Configure error on Mac

Post by klayman » Tue Mar 16, 2010 12:21 pm

Thank you very much, Daniele!

It seems to work now.

Regards
Semyon Filippov
Faculty of Physics,
Kemerovo State University,
Russia

mpayami
Posts: 7
Joined: Sun Oct 24, 2010 2:57 am

Re: Configure error on Mac

Post by mpayami » Sat Apr 23, 2011 3:47 pm

Dear Danielle,
I do have "cpp", "cpp-3.3", "cpp-4.4" in /usr/bin of opensuse OS, and compilation is successful. But in RHEL5.5, I have only "cpp" in /usr/bin. I therefore get the precompiler error. How can I resolve it?
Best regards,
Mahmoud Payami

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Daniele Varsano
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Re: Configure error on Mac

Post by Daniele Varsano » Sat Apr 23, 2011 8:08 pm

Dear Mahmoud,

can you post the command you use to configure, and the output error?

Best,

Daniele

PS: please remember to fill your affiliation in your signature.
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/

mpayami
Posts: 7
Joined: Sun Oct 24, 2010 2:57 am

Re: Configure error on Mac

Post by mpayami » Sun Apr 24, 2011 5:12 am

Dear Daniele,

Thank you for your reply. I use the command:
./configure FC=ifort CC=icc CXX=icpc CPP=/usr/bin/cpp --with-netcdf-lib=/home/mahmoud/NETCDF412/lib --with-netcdf-include=/home/mahmoud/NETCDF412/include --with-iotk=/opt/QE421/iotk/ --with-p2y=4.0

The error message is:

Checking if precompiler works on C source ... yes
Checking if precompiler works on F90 source ... no
Configure:error: Found precompiler problems in processing the F90/C source.

Best regards,
mahmoud

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Daniele Varsano
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Re: Configure error on Mac

Post by Daniele Varsano » Sun Apr 24, 2011 8:45 am

Dear Mahmoud,

try to not specify any precompilers, in the configure command: i.e. assign just the FC=ifort and CC.
What happen? anyway, please post the 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/

mpayami
Posts: 7
Joined: Sun Oct 24, 2010 2:57 am

Re: Configure error on Mac

Post by mpayami » Sun Apr 24, 2011 4:49 pm

Dear Daniele,

I found out that the intel Composer-XE was trouble maker. I used intel fc-11.1.072 and cc-11.1.072, the problem is solved. Yambo compiles on both opensuse 11.2 and RHEL5.5.
In fact, I had encountered some problem in installing intel compilers on opensuse 11.3 which had different glibc from that of 11.2.

Thank you very much.
Bests,
mahmoud

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