I´m running a Pyrosetta script on a 300aa protein with 30 mutable residues a packmover and a fastrelax (3 iterations each) on EX-level 4. When I allocate Memory below 16G I often have uncommented script abortions or "bad alloc" failures. Above 16G that never occurs. Now 16G is a lot and a lot more I seemed to need with Rosetta, albeit, not with the exact same job config. Is there a rule of thump concerning memory usage in PyRosetta? Comparisons with rosetta? Does anybody else encountered memory problems?
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Memory Issues PyRosetta?