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Re^3: Firefly8 on WEindows7...Virtual memory help needed.

Alex Granovsky


I have attached the corrected input file for you.
It requires ca. only 3 megawords (i.e. ca. 24 MBytes) of RAM to run.
This job should easily fit into memory available on your computer system.

Kind regards,
Alex Granovsky

On Wed Dec 19 '12 12:04pm, Siddheshwar Chopra wrote
>Dear Prof. Granovsky,

>Sir currently I am stuck in the optimization itself. I am unable to get the SCF converged. Take for example, the coronene molecule. I am supplying the "Coronene.out" file for your reference.
>The 2GB RAM in total uses nearly 1Gb for the Windows7, and the rest one is used for the calculation. Yes I have also checked the check run and probably I don't understand what it displays. I also wish to know that is this RAM sufficient for the vibrational freq. analysis too?
>I would be grateful if you could just optimize the file and send me. Will my system be sufficient to simulate around 100 atoms?


>On Wed Dec 19 '12 9:45am, Alex Granovsky wrote
>>Dear Siddheshwar,

>>what are the typical types of jobs you are running?
>>Firefly is rather economical so for most types of calculations
>>2 GB of RAM is more than enough. How do you set the memory/mwords
>>keywords in the input file? Do you run check run before the actual
>>run of Firefly to get proper memory settings?

>>Kind regards,
>>Alex Granovsky
>>On Mon Dec 17 '12 2:33pm, Siddheshwar Chopra wrote
>>>Dear Sir,
>>>This is in regard to the use of Firefly8 on Windows7. My laptop has 2Gb DDR3 RAM with i3 2 GHz processor. The other day I was running a program and it almost reached the peak RAM usage of 1.9 Gb. So I increased the virtual memory to be 8Gb in which 2Gb alone for FIREFLY8 installed partition. But I was surprised not to find any effects on the program..As the CPU  ould go to zero and RAM usage then goes down. After that again CPU oes up and RAM usage again rises. So is there any way I can use virtual memory to compensate for the shortage of RAM? If yes, how do  do it? Also I found WinXP to be better in this regard. Please help.

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[ coronene.inp ]

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