The ABINIT Users Mailing List ( CLOSED )

["Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>]

Mauro Sgroi wrote:
> Dear Nuno,
> I'm also trying to compile the code with gfortran
> (4.3.0) on Windows (XP). In addition I'm using the
> MPICH2 library to get the parallel version (I
> succeeded with the release 5.3.4). I've a lot of
> problems with the plugins (bigdft, etsf, fox). Are you
> turning on the compilation of that modules? If yes, do
> you want to share your configure options?

Hi Mauro! I've never compiled with mpich but I suspect it should be 
pretty much the same if you've got everything.
I was able to compile nearly all the modules. I'm not sure what error 
messages I had with fox ...
These were my options:

./configure --disable-smart-config --enable-cclock --enable-bigdft 
--enable-etsf-io --enable-netcdf --enable-xmlf90 --enable-wannier90 
--with-linalg-ldflags=-lacml --with-fc-optflags="-O3 -msse -mfpmath=sse 
-s" --with-cc-optflags="-O3 -msse -s"

Are you using mingw or cygwin ? I can send you a gfortran hack of the 
acml library originally compiled with mingw-g77.

> Moreover, which version of gfortran are you using?

GNU Fortran (GCC) 4.3.0 20070824 (experimental)
You can download it from François Coudert's site : 
http://quatramaran.ens.fr/~coudert/gfortran/

If you build abinip sucessfully would you like to share your results 
with the community ? I could put up your binaries in my website. Now 
with duo cores and quad cores it's becoming more advantageous to control 
which number of cpus you want to run.



--
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student @ IST,Lisbon
--