[gmx-users] Simulations becoming slower with time

[David]

Hi

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)
0  		61873.000 
1  		70679.000 
2  		76894.000 
3  		77988.000 
4  		79592.000 
5  		83272.000 
6  		84194.000 

-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 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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