[gmx-users] Too many LINCS warning
viveksharma.iitb at gmail.com
Fri Sep 26 11:14:26 CEST 2008
I am trying to scale my system(system with 45000 atoms which is one protein
molecule in water box) to run on more number of processor
I have asked a number of related queries, but now I am getting warning
Too many LINCS warnings (11587) - aborting to avoid logfile runaway.
This normally happens when your system is not sufficiently equilibrated,or
if you are changing lambda too fast in free energy simulations.
If you know what you are doing you can adjust the lincs warning threshold
in your mdp file, but normally it is better to fix the problem.
and the same run is running well with 20 processor, but I got the error
pasted above in aan attempt to run the same problem for 40 processor...and
it followed by writing the intermediate step.pdb
Can anybody suggest how should I tackle the problem, and what other option I
can try in this scenario ?
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