[gmx-users] Simulations becoming slower with time
lindahl at stanford.edu
Wed Dec 11 20:31:34 CET 2002
>I'm running a series of simulations on 4 processors. It's a big system
>(19200 atoms) with PME. Since the queueing system limits me to 1 day
>jobs, I cut the simulation in pieces of 250 ps. The first six
>simulations finish within a day, the seventh however doesn't anymore
>(reproducibly). See below for timings. The amount of operations
>(according to the log files) does not increase, files are equally
>long... Density is constant too. Has anyone noticed something similar?
>Simulation Run time (s)
Could it be water sorting?
More information about the gromacs.org_gmx-users