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:
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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
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I suppose I have to increase the memory usage limit during compilation. How is the proper way to do it?
Thanks.
Harianto.