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.
