[gmx-users] install problem on IBM powerpc AIX 5.3

[David van der Spoel]

liu xin wrote:
> Hello everyone
>  
> I tried to install gromacs-3.3.1 on our IBM PowerPC with AIX 5.3 OS, 
> this is how I've done it:
> ./configure --enable-mpi=/usr/bin --prefix=/hpc/gromacsmpi
Is this the command line you used? Try:
./configure --enable-mpi --prefix=/hpc/gromacsmpi

> make mdrun
> make install-mdrun
>  
> then I tried to mdrun my system with 6 cpu
> grompp -f md.mdp -c -p -o 6np.tpr -np 6 -shuffle -sort
> mdrun -v -s 6np.tpr -np 6 -proces 6 -shared_memory
>  
> then I get the error message telling me that "the GROMACS was compiled 
> with no MPI support", but I can run mdrun with 1 cpu!
> we have installed "Parallel Environment V4.2" and "Parallel Engineering 
> and Scienticfic Subroutine Library V3.2" on this machine. I am not 
> familiar with the AIX OS, the MPI compiler on our machine is mpcc (I 
> dont know for sure) installed in /usr/bin.
> Any suggestions will be REALLY appreciated !
>  
> Yours
> Xin Liu
> 
> 
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> 
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se