[Dock-fans] Does dock6.1 have a memory leak

Sam Kaye samantha.kaye at pharmacy.ac.uk
Thu Feb 14 02:45:44 PST 2008


Hi,

I recently noticed that when I run amber scoring in Dock6.1 on a 
large-ish number of molecules (anything over ~1000) I eventually run out 
of memory and swap space. The progression of the memory usage is an 
almost perfect 45 degree plot (I got my sys admin to check). I've tried 
this on several machines now with the same result with the exception 
that on the linux cluster I tried, once it had reached the memory limit, 
it bobbed along the top rather than the job hanging the whole machine 
(which then led to a reboot).

I check the mail archive but nobody else seems to mention this problem. 
Has anyone else encountered this?

Best wishes
Sam


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