[gmx-users] cannot compile parallel version

[Oliver Beckstein]

> 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/