[gmx-users] cannot compile parallel version

[Andre Farias de Moura]

Hi David and Oliver,

I'm still getting the same error message as before...
this is getting a little messy for me: indeed, as Oliver
suggested, there are old fftw versions on /usr/local/lib
(these came from rpm files I downloaded from gromacs
homepage). Using these old libraries I was not being
able to run the gromacs configure script (the mpicc
error I reported at the begining of this discussion).
following Oliver suggestion, I downloaded both fftw
and lam-mpi latest versions and compiled again, this
time using his scripts. I put lam and fftw on /usr/local
just because I did not know exactly where they should
be... anyway, this time I was able to go through the
whole compilation without any error message, but now
I'm stuck here.

shouldn't I begin it from the very begining? I mean:
isn't easier to remove all the fftw and lam stuff
from my computer and then begin from a fresh start?
if so, how can I manage to remove all these libs and
related stuff?

thanks again,

andre'


/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/
    Dr. Andre' Farias de Moura
  Laboratorio de Quimica Teorica
Universidade Federal de Sao Carlos
     Sao Carlos - SP - Brasil
/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/

On Thu, 8 Jul 2004, Oliver Beckstein wrote:

> > I just did as you pointed me out: added /usr/local/fftw and
> > /usr/local/lam to /etc/ld.so.conf, ran ldconfig e then ran
>
> Are your libraries living in /usr/local/fftw (eg
> /usr/local/fftw/libsrfftw_mpi.so) or are they really in
> /usr/local/fftw/lib? If the latter is true you would need to ad the
> .../lib path to /etc/ld.so.config
>
> ... and see David's email.
>
> > mpirun -np2 mdrun_mpi ... but I stil get the error message:
> >
> > mdrun_mpi: relocation error: /usr/local/lib/libsfftw_mpi.so.2: symbol
> > errno, version GLIBC_2.0 not defined in file libc.so.6 with link time
> > reference
> > mdrun_mpi: relocation error: /usr/local/lib/libsfftw_mpi.so.2: symbol
> > errno, version GLIBC_2.0 not defined in file libc.so.6 with link time
> > reference
>
> Actually, this looks as if you have old fftws in /usr/local/lib---they get
> picked up instead of the newly compiled ones in /usr/local/fftw/lib. I
> think putting /usr/local/fftw/lib in ld.so.config before /usr/local/lib
> should solve the problem.
>
>
> Btw, I remember that I actually compiled my Gromacs with the
> --enable-all-static option, so no worries about shared libs ;-)
>
> oli
>
> --
> Oliver Beckstein * oliver at biop.ox.ac.uk
>  http://sansom.biop.ox.ac.uk/oliver/
>
>
>
>
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