[gmx-users] 4.0.5 Installation error

[Mark Abraham]

Manik Mayur wrote:
> Hi,
> I am trying to install GROMACS-4.0.5, but while making mpirun with the 
> option --enable-mpi it gives the following sets of errors:
> 
> ../gromacs-4.0.5/src/gmxlib/.libs/libgmx_mpi.so: undefined reference to 
> `ah_find'
> ../gromacs-4.0.5/src/gmxlib/.libs/libgmx_mpi.so: undefined reference to 
> `lam_ksignal'
> ../gromacs-4.0.5/src/gmxlib/.libs/libgmx_mpi.so: undefined reference to 
> `lam_arr_append'
> ../gromacs-4.0.5/src/gmxlib/.libs/libgmx_mpi.so: undefined reference to 
> `ah_delete'
> ../gromacs-4.0.5/src/gmxlib/.libs/libgmx_mpi.so: undefined reference to 
> `lam_errorstr'
> ../gromacs-4.0.5/src/gmxlib/.libs/libgmx_mpi.so: undefined reference to 
> `lam_ssi_cr_did'
> ../gromacs-4.0.5/src/gmxlib/.libs/libgmx_mpi.so: undefined reference to 
> `lam_rtrnameget'
> ../gromacs-4.0.5/src/gmxlib/.libs/libgmx_mpi.so: undefined reference to 
> `lam_mutex_trylock'
> ...................
> ...................
> 
> The important thing to note is that I have successfully compiled and 
> installed mpi version of mdrun on the same machine, for GROMACS-4.0.4.
> What am I missing here?

Probably you've changed/removed your MPI library between configure and 
make, or between versions of GROMACS, or something similar. Unpack a 
clean GROMACS tarball and start again with configure.

Mark