Re: [IMP-users] CG and MC.set_local_optimizer(CG)

[Keren Lasker <>]

Ben -
from the warning messages I see that you are using the FitRestraint.
Are you using any other restraints as well?
It will be useful to get your optimization script so we can take a look.
Keren.
On Aug 12, 2010, at 7:00 AM, Benjamin SCHWARZ wrote:

> As evoked in a former message, I couldn't manage to have GC  
> optimizer working with the binary MAC OSX version (IMP 1.0). So I  
> compiled the latest version on one of our linux machines. The  
> compilation was easily achieved with the default parameters, though  
> I guess it could be possible to enhance IMP speed by tweaking some  
> magic compilation parameters… I'll see this point later.
>
> I am thus using IMP version SVN 6211
>
> With this version CG optimizer seem to work fine, though I always  
> get warning messages
>        WARNING  could not find parameters for radius:1.85
>        WARNING  Setting params for radius :1.85
>        WARNING  could not find parameters for radius:2.275
>        WARNING  Setting params for radius :2.275
>        WARNING  could not find parameters for radius:2
>        WARNING  Setting params for radius :2
>        WARNING  could not find parameters for radius:1.7
>        WARNING  Setting params for radius :1.7
>        WARNING  could not find parameters for radius:2.175
>        WARNING  Setting params for radius :2.175
>        WARNING  could not find parameters for radius:2.06
>        WARNING  Setting params for radius :2.06
>        WARNING  could not find parameters for radius:1.77
>        WARNING  Setting params for radius :1.77
>        WARNING  could not find parameters for radius:1.9924
>        WARNING  Setting params for radius :1.9924
>        WARNING  could not find parameters for radius:1.8
>        WARNING  Setting params for radius :1.8
>        WARNING  Object "Nameless" was never used. See the  
> IMP::Object documentation for an explanation.
>
>
> But when trying to use CG in conjunction with MC  
> ( mco.set_local_optimizer( cgo ) ), I still experience problems;  
> sometimes it seems to pole in an infinite loop, sometimes it  
> prematurely ends with this message :
>
> Traceback (most recent call last):
>  File "./fitWithRestraints.py", line 222, in <module>
>    opti.optimize(params["optimizer"]["maxSteps"])
>  File "/usr/local/imp/lib64/python2.6/site-packages/IMP/ 
> __init__.py", line 1569, in optimize
>    def optimize(self, *args): return _IMP.Optimizer_optimize(self,  
> *args)
> _IMP.UsageException: Attempt to use uninitialized vector.
>
>
> Ultimately, I am wondering if trying to get CG working is not a  
> waste of time for me… I mean, maybe there are better approaches...  
> So, If you have any comment or general advice that I should check,  
> feel free to do so.
>
>  --Ben
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