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[IMP-dev] [Bug 116] New: Large memory usage on first evaluate with many restraints



https://salilab.org/imp/bugs/show_bug.cgi?id=116

           Summary: Large memory usage on first evaluate with many
                    restraints
           Product: IMP
           Version: unspecified
          Platform: PC
        OS/Version: Mac OS
            Status: NEW
          Severity: enhancement
          Priority: P5
         Component: kernel
        AssignedTo: 
        ReportedBy: 
                CC: 
   Estimated Hours: 0.0


'm trying to optimize a set of particles as done for the alpha-globin domain
(I'm doing some testing on a larger chromatin domain) using a large set of
restraints (over 10^6 restraints).
The memory usage is OK until all the restraints are generated (~2GB), and then
increase to 100% of memory and swap (16GB + 16GB) when I first call
m.evaluate(False) (to check the initial score) causing the script to stop. I
understand that a large number of restraints are being evaluated, but I was
wondering if this is an expected behavior (i.e. if there is a sort of
limitation in the number of restraints that can be implemented per memory GB)
or if there is a workaround, before trying to run the script on a (shared)
machine with much more memory.

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