Dear imp users & developers, I am playing IMP with a large numbers of particles, e.g. > 10^5 and fail to optimize due to memoryError even though I still have enough VMEM and MEM. An example: -------------- Setting up score state for container ListSingletonContainer 0 Model(Model, kernel 1.0)127482 particles 0 restraints 1 score states
Setting up score state for container ListSingletonContainer 3 Setting up score state for container ClosePairContainer Setting up score state for container MovedSingletonContainer Restraint SingletonsRestraint 0 has weight 1 Restraint PairsRestraint 1 has weight 1 Traceback (most recent call last): File "test.py", line 180, in <module> o.optimize(1000) File "/home/htjong/bin/imp-1.0/build/lib/IMP/core/__init__.py", line 665, in optimize def optimize(self, *args): return _IMP_core.ConjugateGradients_optimize(self, *args) MemoryError: std::bad_alloc --------------
I suppose I have to increase the memory usage limit during compilation. How is the proper way to do it? Thanks. Harianto.