[Openmd-users] OpenMD FATAL ERROR: Integrator Factory can not create Integrator

[Dan Gezelter]

Dear Rakesh,

That error means that OpenMD was built without the qhull library, but one of the routines that requires qhull was invoked. The LangevinHull integrator requires the qhull library in order to function, and the gold nanoparticle example assumes the LHull integrator is available.

You'll need to install the qhull library and rebuild OpenMD if you want to use this example.

 Best regards,

 --Dan Gezelter


> On Nov 22, 2014, at 3:57 AM, Rakesh Gupta <gupta.rakesh082 at gmail.com> wrote:
> 
> Dear users 
> I am facing following problem when building and equilibrating gold NP.
> OpenMD FATAL ERROR:
> Integrator Factory can not create LHull Integrator
> Please help to fix it?
> Thanks & Regards
> RAKESH GUPTA
> 
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  J. Daniel Gezelter
  Associate Professor of Chemistry
  Department of Chemistry and Biochemistry
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