Ceilidh ... Re^5: Can/ how to discard AOINTS File before every new calculation?

Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly

We are NATO-free zone

Re^5: Can/ how to discard AOINTS File before every new calculation?

Siddheshwar Chopra
sidhusai@gmail.com

Thank you sir for the help... But what does the DirectSCF do exactly or is it less memory eater?

Regards,

On Tue Dec 11 '12 10:52pm, Solntsev Pasha wrote
-----------------------------------------------
>Dear Siddheshwar.

>Try to use $scf dirscf=.t. $end

>Best,

>Pavel.
>
>
>On Tue Dec 11 '12 12:34pm, Siddheshwar Chopra wrote
>---------------------------------------------------
>>Dear Sir,

>>Is there any way to stop/reduce this huge memory usage by firefly?? I mean i want to stop this much memory usage.. also i used 4 logical cores in this calculation, but the cpu usage was reduced to 25% after sometime even though i used httfix=.f... and the RAM Usage was at max 1gb out of 2gb... i wish to ask is it normal or thrs a way i can speedup the calcs??

>>Regards,
>>
>>
>>
>>n Tue Dec 11 '12 10:56am, Siddheshwar Chopra wrote
>>---------------------------------------------------
>>>Thank you sir

>>>On Tue Dec 11 '12 8:15am, Solntsev Pasha wrote
>>>----------------------------------------------
>>>>Dear Siddheshwar.

>>>>As far as i know, AOINTS is useless after calculation is done. For command line options check this page:

>>>>Best,

>>>>Pavel.
>>>>
>>>>
>>>>On Tue Dec 11 '12 7:14am, Siddheshwar Chopra wrote
>>>>--------------------------------------------------
>>>>>Dear Sir,
>>>>>This is in regard to a huge file obtained after i ran a calculation. This file is AOINTS which almost finished my 200gb partition. Sir do i need this file for next run of thee same sample?? If yes how do i use it again?? If no, then how do i delete in the next run automatically (through batch file itself)?

Thu Dec 13 '12 10:57am

This message read 672 times