PC GAMESS-related discussion club

Jamshid Najafpour
j.najafpour@gmail.com

I found it. It was in TEMP directory.
I am using WinGAMESS program.

Wishes
Jamshid
On Wed Sep 3 '08, Alex Granovsky wrote
--------------------------------------
>Hi,

>are you sure you are using PC GAMESS, not GAMESS (US)?

>Regards,
>Alex Granovsky
>
>
>On Tue Sep 2 '08, Jamshid Najafpour wrote
>-----------------------------------------
>>Hi:

>>METOD=SEMINUM is the default in DFT calculation, but in B3LYP/aug-cc-pVDZ calculation I dont have IRCDATA file. How can I find ircdata file? Where is it?

>>Best Whishes
>>Jamshid
>>On Mon Sep 1 '08, Alex Granovsky wrote
>>--------------------------------------
>>>Hi,

>>>For restart of optimization itself, just take the last geometry
>>>from the output or punch file, replace the old one in the
>>>input file and resubmit the job.

>>>For restart of optimization+hessian job stopped at the stage of
>>>numerical hessian calculation, replace initial geometry by the
>>>final one, and add $vib group from the ircdata file to your input
>>>(do not forget to put $end at the end). Then change runtyp to
>>>hessian and resubmit. Optionally, you can provide converged
>>>$vec group and $grad group from the punch file at found
>>>stationary point as well

>>>For restart of optimization+hessian job stopped at the stage of
>>>analytical hessian calculation, replace initial geometry by the
>>>final one, change runtyp to hessian and resubmit. Optionally,
>>>you can provide $vec group from the punch file

>>>Regards,
>>>Alex Granovsky
>>>
>>>
>>>
>>>On Mon Sep 1 '08, Jamshid Najafpour wrote
>>>-----------------------------------------
>>>>How can I restart geometry optimization and hessian calculation when the computing process have stoped.

>>>>Best Regards
>>>>Jamshid

>>>>