Manik Mayur a écrit :
Hi,

If I have 2 mpi environments, namely LAM and openMPI, and I want gromacs to use openMPI of the two, what extra option should I pass during the ./configure step? In my case openMPI is installed locally(in my /home folder).
Sorry, I've misunderstood your message. Anyway, I would first check twice the paths to the binaries in my script. Then, I would check my environment variables, especially PATH, LD_LIBRARY_PATH and LD_RUN_PATH. You might need to modify them to make sure any Lam-related stuff is loaded by default in your environment.

I've tried to use a local installation of openMPI myself, but finally asked my sysadmin to install it for all users. I had many problems with libraries that couldn't be loaded properly.

Cheers,
Nicolas

Thanks,
Manik

On Tue, Mar 3, 2009 at 10:58 PM, Nicolas <nsa...@ucalgary.ca <mailto:nsa...@ucalgary.ca>> wrote:

    Hi,

    As mentioned by the error message:


      Please run the "lamboot" command the start the LAM/MPI runtime

    Before using Lam, you have to boot it. In my scripts, I've got
    something like:

      lamboot -v $PBS_NODEFILE
      lamrun -v -np $NPROC mdrun mdargs
      lamhalt

    I don't use Lam often, though, you might need to use different Lam
    options.

    Nicolas

    Manik Mayur a écrit :

        Hi,

        I have till now successfully used openMPI and gromacs
        together. Recently I got a cluster where I tried to install
        openMPI and gromacs locally as I donot have root priviledges
        on it. But it turns out that it already has MPI environment on
        it (LAM) which I donot want to use (as the version is quite
        old.. the cluster still has gcc-3.2.3!).
        So after installing openMPI 1.3 and gromacs 4.0.4 on it (in my
        /home folder), I tried to execute:

        $/home/openmpi/bin/mpirun -np 4 mdrun_4_mpi -s eql_mpi.tpr -o
        eql_mpi.trr

        It gives the following error:

        
-----------------------------------------------------------------------------
        It seems that there is no lamd running on this host, which
        indicates
        that the LAM/MPI runtime environment is not operating.  The
        LAM/MPI
        runtime environment is necessary for MPI programs to run (the MPI
        program tired to invoke the "MPI_Init" function).

        Please run the "lamboot" command the start the LAM/MPI runtime
        environment.  See the LAM/MPI documentation for how to invoke
        "lamboot" across multiple machines.
        
-----------------------------------------------------------------------------

        My question is - Why it still tries to look for LAM
        environment or lamd? I will be extremely thankful if somebody
        gives a hint.

        -Manik
-- Graduate student
        Microfluidics Lab
        Dept. of Mechanical Engg.
        IIT Kharagpur
        ------------------------------------------------------------------------

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--
Graduate student
Microfluidics Lab
Dept. of Mechanical Engg.
IIT Kharagpur
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