[gmx-developers] mpi support in cvs code

Haberl Florian Florian.Haberl at chemie.uni-erlangen.de
Thu May 12 18:37:30 CEST 2005


> Hello all,
> First, apologies, I realize that I posted some cvs questions to the
> general list.
> I'm having a problem installing the cvs code. I've downloaded and
> installed mpi and fftw using the .rpm files on the GROMACS site. The
> system type is i686-pc-linux-gnu.  I've run ./bootstrap successfully,
> but when I run ./configure --enable-mpi --prefix=/usr/local/grocvs it
> quickly ends with the following lines:
> checking for mpxlc... no
> checking for mpicc...mpicc
> checking whether the MPI cc command works... configure: error: Cannot
> compile and link MPI code with mpicc

seems you don have a proper mpi installation, try perhaps something like

which mpirun (if there correct dir, if not set it right)+

or compile it on your own,
or try the mpi and fftw version from your *nix distribution

> I'm wondering if there is an issue with the .rpm files and whether I
> should just compile mpi and fftw from source?
> Also, when I download the cvs manual (/home/gmx/cvs co manual) and
> build the manual from the latex files I find that the section with the
> manual pages is missing, so I can't read about the new info on mdrun
> for REMD. Of course if I could get the cvs code to compile I could just
> use mdrun -h...
> Help is needed and appreciated,
> Ken
> K.S. Rotondi Ph.D.
> Research Fellow
> The Gierasch Laboratory
> Department of Biochemistry and Molecular Biology
> University of Massachusetts-Amherst
> Phone: 413-545-1250
> Fax;      413-545-3291
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 Florian Haberl              Universitaet Erlangen/Nuernberg
 Computer-Chemie-Centrum     Naegelsbachstr. 25, D-91052 Erlangen

 Mailto: florian.haberl AT chemie.uni-erlangen.de


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