Hi Naveen,
On 28/4/2011, at 12:23 p.m., Naveen Samala wrote:
> I have run the bcl script for sidechain model and generated the
> gaussian input files for optimization and forceconstants. I have started
> gaussian optimization run using input file, and it has taken more than 2
> hours and still running. How much time does it take to complete, or is it
> completed and need to be stopped?
We can't predict how long the calculation will take. It depends on the computing power you're using, the size of your system, the method and basis set you chose, and how far away the structure is from a stationary point. However, if I were you, I should expect the optimisation process to take at least several days. For more detailed information on how your optimisation is progressing, you will need to review your Gaussian log file. If you have problems with the Gaussian calculation itself, I encourage you to contact Gaussian technical support or the CCL mailing list.
Hope that helps,
Ben
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Received on Thu Apr 28 2011 - 09:30:12 PDT
