Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly  
We are NATO-free zone


Siddheshwar Chopra

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.


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?


[ Previous ] [ Next ] [ Index ]           Tue Sep 10 '13 1:52pm
[ Reply ] [ Edit ] [ Delete ]           This message read 789 times