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Re^3: Fatal error : not enough memory to perform the requested task!

Siddheshwar Chopra
sidhusai@gmail.com


Dear Sir,
Arshad Sir unfortunately your suggestion didn't work. Prof. Alex thanks for the suggestion. Now the program runs with cartesian coords. very well. But I want to use the internal coordinates. What is the workaround to this problem? I am using "C1" no symmetry and cartesian coordinates, which will increase the computation time. Does it mean I should increase the RAM (it is currently 2GB). I even increased the virtual memory, but of no help. What should I do? I do not want to compromise on internal coordinates. The structure seems to possess no symmetry as per Gabedit.

Regards,

On Mon Jul 15 '13 3:30pm, Alex Granovsky wrote
----------------------------------------------
>Dear Siddheshwar,

>the code generates too much primitive coordinates.
>It seems you need to disable DLCs. In addition, check
>your input geometry for errors.

>Kind regards,
>Alex Granovsky
>
>
>On Mon Jul 15 '13 2:56pm, Arshad Mehmood wrote
>----------------------------------------------
>>On Mon Jul 15 '13 1:32pm, Siddheshwar Chopra wrote
>>--------------------------------------------------
>>>Dear Sir,
>>>Please find the sample o/p file attached. I am getting this error repeatedly. The problem is that the error shows different memory requirements everytime. My computer has two cores. I even tried reducing number of cores to one, but problem persists. Please help.

>>>Regards,

>>>

>>Dear Siddheshwar,
>>Just Replace MEMORY=53113807 with MEMORY=20 or even with more smaller. I hope you will find the result. For further info. Check this thread:

>>http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C34df668afbHW-7091-955+00.htmhttp://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C34df668afbHW-7091-955+00.htmhttp://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C34df668afbHW-7091-955+00.htmhttp://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C34df668afbHW-7091-955+00.htm

>>Regards,

>>Arshad Mehmood


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