[gmx-developers] mpi support in cvs code

Ken Rotondi ksr at chemistry.umass.edu
Thu May 12 18:02:39 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

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,


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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