[gmx-users] PME slows down
spoel at xray.bmc.uu.se
Thu May 26 18:44:34 CEST 2005
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?
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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