[gmx-users] installation: gromacs on Mac.10.5.8 leopard

[Florian Dommert]

Hello Ali,

  starting with OS X 10.5 the Developer tools included also a nicely
working distribution of OpenMPI. So as soon as the Developer Tools have
been installed on the Mac following the steps on the GROMACS website
allowed to compile parallel binaries. Taking a look at your bash_profile
open several questions. Have you installed a self compiled version of
OpenMPI and LAM, because you define corresponding environment variables
? It is also somehow uncommon that you find binaries in a directory
usually dedicated for libraries like /usr/local/lib.

On 22.07.10 11:00, KACHMAR Ali wrote:
> > > export PATH=$PATH:/usr/local/lib
> > > export PATH=$PATH: /usr/bin/mpicc
> > > export PATH=$PATH:/usr/local/lam/bin/
> > >
In this three lines it seems you try to define the compilers, but take a
look at your environment variable PATH. Somewhere at the beginning you
should find the directory /usr/bin as set by the system wide
bash_profile. So the configure scripts usually chooses  the compilers
contained in this directory. In your case it will be the gcc and mpicc
compilers and linkers supplied by the Developer tools.  
> > >
> > > export CPPFLAGS=-I/usr/local/openmpi/include
> > >

Why do you involve now this header files, perhaps they do not suit to
the used version of OpenMPI ?

Disable this lines in your .bash_profile open a new terminal and try
again, perhaps this solves the problem. Then we know that just the path
of the different installed MPI distributions were messed up.

Cheers,

Flo

> > PS: the gcc is under the directory: /usr/local/lib or /usr/lib.
> > >
> > > Thanks.
> > >
> > > Ali
> > >
> > >
> > >
> > > > From: Ansgar.Esztermann at mpi-bpc.mpg.de
> > > > To: gmx-users at gromacs.org
> > > > Date: Wed, 21 Jul 2010 12:15:25 +0200
> > > > Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard
> > > >
> > > >
> > > > On Jul 21, 2010, at 11:07 , KACHMAR Ali wrote:
> > > >
> > > > > checking whether the MPI cc command works... configure: error:
> Cannot compile and link MPI code with mpicc
> > > >
> > > >
> > > > This is the immediate problem: something goes wrong when
> compiling a test program with mpicc. If you look into the configure
> log, you should find a more detailed explanation of what went wrong
> (somewhere near the end).
> > > >
> > > > Regards,
> > > >
> > > > A.
> > > > --
> > > > Ansgar Esztermann
> > > > DV-Systemadministration
> > > > Max-Planck-Institut für biophysikalische Chemie, Abteilung 105
> > > >
> > > > --
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> > --
> > Ansgar Esztermann
> > DV-Systemadministration
> > Max-Planck-Institut für biophysikalische Chemie, Abteilung 105
> >
> > --
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-- 
Florian Dommert
Dipl. Phys.

Institute for Computational Physics
University Stuttgart

Pfaffenwaldring 27
70565 Stuttgart

Germany

Tel: +49 - 711 / 6856-3613
Fax: +49 - 711 / 6856-3658

EMail: dommert at icp.uni-stuttgart.de
Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert

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