The ABINIT Users Mailing List ( CLOSED )

[Yann Pouillon <yann.pouillon@ehu.es>]

Le Wed, 11 Feb 2009 18:08:18 +0100, Alain Jacques <ajs.jacques@gmail.com> a
écrit :

> I'll maybe have to discuss with Yann about the pros or cons of not using
> the mpicc/mpif90 by default in the path - but if he has done that,
> experience has shown that is for good reasons. [...]

Yep. For the moment, MPI support in Abinit is the best compromise I could
implement so far, but is still a few light-years from what I had in mind.
I have good hopes for Abinit 6, though.

>> Can I tell my system administrator that MPI in cluster was built with gcc?
> 
> Independently of abinit, there is something wrong with your mpi setup. You
> picked 64bit mpicc and mpif90 ... nice. But it should not report missing
> references in crt1.o and it should not rely on gcc-4.1.2 and not not depend
> on /usr/lib/gcc/x86_64-redhat-linux/4.1.2/libgfortranbegin.a if it has been
> configured to work with Intel icc/ifort compilers.

I confirm once again: you should really ask them to review the configuration
with care.

>> Then I tried many configure settings as following:
>>  ./configure FC="/home/opt/intel/impi/3.1/bin64/mpif90"
>> CC="/home/opt/intel/impi/3.1/bin64/mpicc" --enable-mpi=yes Configuration
>> could completed using above setting, but errors came out when "make":
>> [...]
> 
> The offending flag malign-double is only valid for 32bit executables, not
> 64bit; it should definitely not be there. Again Aaron there is a mixture
> here of 32 bit / 64 bit flags and tricks for gfortran, not ifort . You may
> have to configure with --enable-64bit-flags.

Some architecture-dependent optflags in 5.6 were wrongly set. I fixed this in
5.7, but unfortunately could backport it only to 5.6.5, not yet available.

>> I am curious about why --disable-netcdf has no effect on configuration and
>> make. Now I am continue trying to fix this problem.
> 
> Because you didn't disable etsf-io and it requires netcdf to be built. Add
> --disable-etsf-io --disble-netcdf to get rid of both libs. You can find a
> sample of my abinit configure recipe on
> http://www.etsf.be/downloads/ETSF_softlib/page2/page2.html

There was a design flaw in the Abinit build system regarding option
precedence, which I also fixed in 5.7. This time it was however not possible
to backport the fix.

As a first step, and if you don't use Abinit's extended features, you can try
to configure using the --disable-all-plugins maintainer option. This will
simplify things a bit.

Best regards,

Yann.

-- 
Yann Pouillon               European Theoretical Spectroscopy Facility (ETSF)
Tel: (+34) 943 01 83 94     Centro Joxe Mari Korta, Avenida de Tolosa, 72
Fax: (+34) 943 01 83 90     20018 Donostia-San Sebastián (Gipuzkoa)
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