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Re^2: SAMPLE IS NOT GETTING OPTIMIZED AT ALL...

Siddheshwar Chopra
sidhusai@gmail.com


Dear Prof. Alex,
Thats what I tried from the start Sir. I ONLY use coord=unique. But unfortunately everytime I do that, I get this error:
Fatal error: not enough memory... 20000000 more memory required..
And when I change the memory value to the above value..then also problem isnt't resolved, infact it gives some other memory value.....Is there a bug or something? Please tell me what is happening? I have been stuck up to this since last one month. I have tried differnt PC systems too. Please help.

Regards,

On Mon Sep 9 '13 8:27pm, Alex Granovsky wrote
---------------------------------------------
>Dear Siddheshwar,

>use coord=unique. Recent Firefly builds force exetyp=check
>for coord=cart jobs. For those who absolutely need coord=cart
>and know what they do there is also the undocumented way how
>to force coord=cart jobs to run.
>
>Kind regards,
>Alex Granovsky
>
>
>On Mon Sep 9 '13 8:09am, Siddheshwar Chopra wrote
>-------------------------------------------------
>>Dear Sir,
>>Please find attached a sample file of Boron nanotube. I have failed for the nth time to get it optimized. I want its Hessian too. Please help me in finding out what is wrong with it. In addition I would say that it is really taking long to optimize it. Could you throw some light on how to make it faster?

>>Regards,


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