[gmx-users] Install gromacs333 with plumed110

[Giovanni Bussi]

This question is more appropriate to the plumed-users forum.

Giovanni

On Thu, Aug 6, 2009 at 4:42 PM, osmair oliveira<osmair07 at hotmail.com> wrote:
> Hi,
>  I am trying to install gromacs 3.3.3 with plumed 1.1.0 with the following
> commands:
> $ export plumedir=/home/osmair/programs/PLUMED-1.1.0
> $ CC=gcc CXX=g++ ./configure --enable-double --program-suffix=_plumed
> --enable-fortran --enable-mpi
> CPPFLAGS=-I/home/osmair/programs/fftw-3.0.1/include
> LDFLAGS=-L/home/osmair/programs/fftw-3.0.1/lib
> LD_LIBRARY_PATH=/home/osmair/programs/openmpi-1.2.7/lib
> $ ./plumedpatch_gromacs_3.3.3.sh -patch
> $make
>
> However I found the error:
> /usr/lib/gcc/x86_64-redhat-linux/3.4.6/libfrtbegin.a(frtbegin.o): In
> function `main':
> (.text+0x1e): undefined reference to `MAIN__'
> collect2: ld returned 1 exit status
> make[3]: *** [ffscan] Error 1
> make[3]: Leaving directory
> `/home/osmair/programs/gromacs-333PLUMED/src/kernel'
> make[2]: *** [all-recursive] Error 1
> ...
>
> On the other hand, when I try install the gromacs without plumed, the
> following commands work very well.
> $ CC=gcc CXX=g++ ./configure --enable-double --program-suffix=_plumed
> --enable-fortran --enable-mpi
> CPPFLAGS=-I/home/osmair/programs/fftw-3.0.1/include
> LDFLAGS=-L/home/osmair/programs/fftw-3.0.1/lib
> LD_LIBRARY_PATH=/home/osmair/programs/openmpi-1.2.7/lib
> $ make
>
> Someone can help me?
>
> Thanks
>
> Ph.D. Osmair Vital de Oliveira
> Federal University of Sao Carlos - Brazil
>
> ________________________________
> Quer uma internet mais segura? Baixe agora o novo Internet Explorer 8. É
> grátis!
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> 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
>