[gmx-users] compiling gromacs

Justin A. Lemkul jalemkul at vt.edu
Fri Jan 30 01:12:48 CET 2009

Pedro Alberto Valiente Flores wrote:
> Hi:
> I am trying to compile gromacs 4.03_mpi in ubuntu hardy. 
> I use this comand-line:
> ./configure --enable-mpi --prefix=$HOME/software/gmx403 MPICC=
> $HOME/software/openmpi/bin/mpicc CPPFLAGS="-I
> $HOME/software/openmpi/include -I$HOME/software/fftw/include/"
> LDFLAGS="-L$HOME/software/openmpi/lib -L$HOME/software/fftw/lib/"
> --program-suffix=_403_mpi --enable-shared
> but i have this error in the config.log file
> conftest.c:19:2: error: #error not catamount

Right, because you probably aren't using Cray XT3.  Therefore, this is normal 
(at least, I see it in my config.log files, too).  As long as the configuration 
finished, then you should be fine to continue on to compilation.



Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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