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