[gmx-users] PME slows down

[David]

On Thu, 2005-05-26 at 11:51 -0400, Jason de Joannis wrote:
> I am running a rather intensive (106K atoms) lipid bilayer simulation
> with PME for 100 ns. Initially the time-to-completion estimate is
> about 16 days. However over the course of 9 days the estimate increases
> monotonically to 110 days. I have run quite a few simulations like this
> before on the same hardware, though usually with cutoffs.
Is it exploding?

In parallel?

>        /Jason
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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