[gmx-users] Gromacs slow and crashes on Leopard.
hleonov at cc.huji.ac.il
Wed Nov 28 14:23:47 CET 2007
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
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
On Wed, 2007-11-28 at 10:43 +0100, David van der Spoel wrote:
> Hadas Leonov wrote:
> > When is version 3.3.3 due ?
> But meanwhile I put a beta version at the ftp site.
> Please use with care, for testing purposes only.
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