[gmx-users] mpi version

Ilya Chorny ichorny at maxwell.compbio.ucsf.edu
Thu Sep 25 00:49:00 CEST 2003


I tried recompiling 
fftw:

./configure --enable-mpi --enable-float
make 
make install

gromacs:
./cofigure --enable-mpi --program-suffix=_mpi
make mdrun
make mdrun-install
make links

I still get the same erro message.


Ilya


On Wed, 2003-09-24 at 12:53, Erik Lindahl wrote:
> On Wednesday, September 24, 2003, at 12:19 PM, David wrote:
> 
> > On Wed, 2003-09-24 at 20:56, Ilya Chorny wrote:
> >> Do I need to recompile mdrun?
> >>
> > i'm afraid so.
> >
> > very recently a complete compile script was posted to the list..
> 
> Sorry.
> 
> I wish there was something we could do about this, but it's an internal 
> versioning problem in the LAM libraries (the calls Gromacs and FFTW 
> generate based on the LAM headers at compile time must match the 
> version actually present in the LAM library during runtime) that's 
> outside our control.
> 
> Cheers,
> 
> Erik
> 
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