Hi Alan,
thanks for the hint!!! Seems like it really was a problem with lammpi.
The download from FINK worked beautifully, and GROMACS/open mpi works
perfectly.
Cheers
Steffen
Steffen, if don't intend to use GMX double precision, why not use
Gromacs from FINK? It's all there. Use ommpi also, i
Steffen, if don't intend to use GMX double precision, why not use
Gromacs from FINK? It's all there. Use ommpi also, instead of lammpi
(seems broken in Fink too).
Then you can do something like:
# with openmpi, for a dual core
grompp -f em.mdp -c Complex_b4em.pdb -p Complex.top -o em.tpr -np 2
o
[EMAIL PROTECTED] wrote:
Hi all,
I'm having trouble with the compilation of GROMACS on a Mac Pro (OS X).
It's a machine with two Quad-Core Intel Xeon, so 8 nodes in all. As
compiler I used the programs delivered with the Xcode tools 3.0 and for
parallelisation the LAM/MPI package delivered with
Hi,
how did you compile Gromacs? You have to speficify --enable-mpi to
configure. How did you run it? Give the exact command line.
Roland
On Thu, Jul 31, 2008 at 4:40 PM, <[EMAIL PROTECTED]> wrote:
> Hi all,
> I'm having trouble with the compilation of GROMACS on a Mac Pro (OS X).
> It's a mac
Hi all,
I'm having trouble with the compilation of GROMACS on a Mac Pro (OS X).
It's a machine with two Quad-Core Intel Xeon, so 8 nodes in all. As
compiler I used the programs delivered with the Xcode tools 3.0 and for
parallelisation the LAM/MPI package delivered with the Xcode tools. The
proble
Hi all,
I'm having trouble with the compilation of GROMACS on a Mac Pro (OS X).
It's a machine with two Quad-Core Intel Xeon, so 8 nodes in all. As
compiler I used the programs delivered with the Xcode tools 3.0 and for
parallelisation the LAM/MPI package delivered with the Xcode tools. The
proble
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