[gmx-users] installation: gromacs on Mac.10.5.8 leopard
Florian Dommert
dommert at icp.uni-stuttgart.de
Thu Jul 22 19:28:22 CEST 2010
Hi,
I would download the latest developer toolkit, install it and all
should be correct to install an MPI - Version of GROMACS. Everything
works fine and I realize no trouble with compilation.
Cheers,
Flo
On 22.07.10 18:58, KACHMAR Ali wrote:
> Hi Florian,
>
> Thanks for your answer. You're right, I found I don't have lam in my
> usr/local/. Where I should download this package?
>
> It is not coming on the developer. What I install, it is just this OpenMPI
>
> The latest OpenMPI source
> from http://www.open-mpi.org/software/ompi/v1.2/downloads/openmpi-1.2.8.tar.bz2
>
> Could you please give the link for this OpenMPI/LAM.
>
> As you advised me I disable this command export
> CPPFLAGS=-I/usr/local/openmpi/include, and I tried again, still the
> same error.
>
> Thanks.
>
> Ali
> ------------------------------------------------------------------------
> Date: Thu, 22 Jul 2010 12:51:53 +0200
> From: dommert at icp.uni-stuttgart.de
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard
>
> 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
> <mailto:Ansgar.Esztermann at mpi-bpc.mpg.de>
> > > > To: gmx-users at gromacs.org <mailto: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 <mailto:dommert at icp.uni-stuttgart.de>
> Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert <http://www.icp.uni-stuttgart.de/%7Eicp/Florian_Dommert>
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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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