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Re^2: Can we restart an improperly shut down calculation???

Siddheshwar Chopra

Dear Alex,
My jobs particularly involve geometry optimization, numerical hessian jobs, finding raman, using DFT, TDFT , mostly. Sir, I need to know the code which I have to add to my Restart i/p file, WHICH WOULD START THE CALCULATION FROM WHERE IT WAS CRASHED (OR STOPPED).. Please make me understand this well. I would be grateful if you could send me an i/p file or the commands..


On Wed May 15 '13 9:55pm, Alex Granovsky wrote
>It is rather straightforward to restart geometry optimization
>and numerical hessian jobs. Are these the types of jobs you
>are interested in? Please let us know.

>Several other types of jobs can be restarted as well but it is more tricky.

>A good solution would be to buy an UPS. It would also help protecting
>your hardware from damage due to power outages, electrical surges,  noise etc...

>Kind regards,
>Alex Granovsky
>On Wed May 15 '13 12:04pm, Siddheshwar Chopra wrote
>>Dear Sir,
>>Due to erratic power cuts or other reasons, it is becoming very difficult to restart any calculations everytime.. PLEASE TELL ME is there any way I can RESTART from the same, once the FIREFLY crashes due to such power issue?? It would be a great help appreciated in advance.


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