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: drussel@SALILAB.ORG ReportedBy: drussel@SALILAB.ORG CC: imp-dev@salilab.org 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.