[gmx-users] mpirun problem

[Florian Haberl]

Hi,

>
> I have been trying to run the programme on 2 nodes and it is giving me the
> following error message:
> mpirun  -np 2 mdrun -s pro.tpr -o pro.tr -np 2
>
> Fatal error: GROMACS compiled without MPI support - can't do parallel runs

have you compiled gromacs with --enable-mpi flag?
You need fftw and gromacs with --enable-mpi as howto said.
>
> ********************* WARNING ***********************
> This is a vulnerable region. Exiting the application
> now may lead to improper cleanup of temporary objects
> To exit the application, press Ctrl-C again
> ********************* WARNING ************************
>
> Please give me some clue whats going worng.
>
> Following is the background information:
>
> 1)two individual work stations with same installation details.
>
> 2) gromacs, lam/mpi and fft installed as a root
>
> 3) programme running ok with single node(master node)
>
> 4) when I run ldd mpirun from my home directory, it says "ldd: ./mpirun: No
> such file or directory". I checked the path  and it appears to be ok.
>
> Thanking you,
>
> abu
>
>
>
>
>
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Greetings,

Florian

-- 
-------------------------------------------------------------------------------
 Florian Haberl                            Universitaet Erlangen/
 Computer-Chemie-Centrum    Nuernberg
                                                      Naegelsbachstr. 25
                                                      D-91052 Erlangen
  Mailto: florian.haberl AT chemie.uni-erlangen.de
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