[gmx-users] Gromacs slow and crashes on Leopard.

Hadas Leonov hleonov at cc.huji.ac.il
Wed Nov 28 14:23:47 CET 2007

Great, thanks! 

It does solve the ia32 compilation problems, but not the lam-mpi
compilation problems - I still get undefined symbols for a few lam

So still using open-mpi, Gromacs works a little better now, for d.villin
benchmark, the performance are:
1 CPU: 13214 ps/day (compared to 3592 ps/day before, and 18000ps/day on
OSX 10.4)
4 CPUs: 38000ps/day (compared to 13714 ps/day before,  41143ps/day on
OSX 10.4, and 48000ps/day in the gmx published benchmark). 
I still didn't get to make a long simulation and see if it crashes. 

anymore ideas? is it still something that has to be fixed in the new

Thanks again,

On Wed, 2007-11-28 at 10:43 +0100, David van der Spoel wrote:
> Hadas Leonov wrote:
> > When is version 3.3.3 due ?
> > 
> Soon.
> But meanwhile I put a beta version at the ftp site.
> ftp://ftp.gromacs.org/pub/gromacs/gromacs_3.3.3_pre1.tar.gz
> Please use with care, for testing purposes only.

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