[gmx-users] FFTW installation error: cannot compile asimpleFortran program

[Florian Haberl]

hi,

On Monday 24 April 2006 08:44, Jones de Andrade wrote:
> Hi all!
>
> Ok, I did not acquired to compile gromacs with intel yet, but now I'm also
> facing problems with PGI compilers (which also has the extra problem of
> needin to be redownloaded soon).
>
> Just in case someone asks: I'm trying to benchmark gromacs in A64s with
> different compilers. ;)
>
> Well, PGI is dieing here:
> .
> .
> .
> /usr/local/pgi/linux86-64/6.0/bin/pgcc -tp=k8-64 -fastsse -Mipa=fast
> -Mipa=inline -o grompp topio.o toppush.o topcat.o topshake.o convparm.o
> tomorse.o sorting.o splitter.o vsite_parm.o readir.o add_par.o topexcl.o
> toputil.o topdirs.o grompp.o  -L/usr/local/lib64/fftw/pgi/lib
> ../mdlib/.libs/libmd.a -L/usr/X11R6/lib64 -L/usr/X11/lib
> ../gmxlib/.libs/libgmx.a -lnsl /usr/local/lib64/fftw/pgi/lib/libfftw3f.a
> -lm /usr/X11R6/lib64/libXm.so -lXmu -lSM -lICE -lXext -lXp -lXt -lX11
> --rpath /usr/X11R6/lib64 --rpath /usr/X11R6/lib64
> pgcc-Warning-Unknown switch: --rpath
> pgcc-Warning-Unknown switch: --rpath
> File with unknown suffix passed to linker: /usr/X11R6/lib64
> File with unknown suffix passed to linker: /usr/X11R6/lib64


if you don`t need x things than let it out (more a workaround):
./configure --without-x --without-xml --without-motif-includes 
--without-motif-libraries (add your other config issues too)

> .
> .
> .
>
> I googled this kind of error, but it's only reported to LAM... in that
> case, they basically recomend to pass the -Wl flag to the linker.
>
> Did anybody here faced this problem before? How it was solved? And exactly
> how culd I pas that extra flag just to the linker (tried straight the
> LDFLAGS, then the ./configure does not find that the compiler can produce
> executables...  :p )?
>
> Thanks you all for all the help. Promisse to send the results of the benchs
> to here when they are finished. :)
>
> Thanks again,
>
> Jones
>
> On 4/20/06, Erik Lindahl <lindahl at sbc.su.se> wrote:
> > Hi,
> >
> > On Apr 20, 2006, at 12:25 PM, Ge Sunny wrote:
> > > Dear Florian,
> > >
> > > Thanks for your help. The installation of FFTW3 source code does
> > > work by setting the prefix. Then, I have set LDFLAGS and CPPFLAGS
> > > to install Gromacs from gromacs-3.3.1-1.src.rpm. However, there is
> > > an error when installing Gromacs:
> > >
> > > $ rpmbuild -rebuild gromacs-3.3.1-1.src.rpm
> > > ... ...
> > > checking for fftw3.h... yes
> > > checking for main in -lfftw3f... no
> > > configure: error: Cannot find fftw3f library
> > > error: Bad exit status from /var/tmp/rpm-tmp.67043 (%build)
> > >
> > > RPM build errors:
> > >    user erikli does not exist - using root
> > >    group el does not exist - using root
> > >    user erikli does not exist - using root
> > >    group el does not exist - using root
> > >    Bad exit status from /var/tmp/rpm-tmp.67043 (%build)
> > >
> > >
> > > I can only find fftw3.f under ./fftw/include. Don't know what
> > > fftw3f is.
> >
> > The single precision FFTW3 library. You probably didn't include "--
> > enable-float". Go through the detailed instructions at
> >
> > http://www.gromacs.org/installation/prerequisites.php
> >
> > Cheers,
> >
> > Erik
> >
> > _______________________________________________
> > gmx-users mailing list    gmx-users at gromacs.org
> > http://www.gromacs.org/mailman/listinfo/gmx-users
> > Please don't post (un)subscribe requests to the list. Use the
> > www interface or send it to gmx-users-request at gromacs.org.
> > Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Greetings,

Florian

-- 
-------------------------------------------------------------------------------
 Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Mailto: florian.haberl AT chemie.uni-erlangen.de
-------------------------------------------------------------------------------