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Re: NBO

Alex Granovsky
gran@classic.chem.msu.su


Hi,

Currently NBO code is purely serial by design. However, Firefly is
capable to call NBO code from inside parallel jobs. In this case,
NBO code is executed by the master process while all the slaves
just wait for its completion on master.

As to your second question, I've updated the "Capabilities" section
to provide more details on each supported method.

Regards,
Alex Granovsky



On Sun Dec 14 '08 4:54pm, Thomas Patko wrote
--------------------------------------------
>Is NBO5 as implemented in Firefly 7.1.C or newer support parallel runs for any job types?  If so, is there a listing of the methods that support parallel runs?

>I ask the question because I seem to recall that the implementation in GAMESS and Gaussian only support serial runs.

>Thanks,

>Thomas  


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