Firefly and PC GAMESS-related discussion club


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



Re^3: Can/ how to discard AOINTS File before every new calculation?

Siddheshwar Chopra
sidhusai@gmail.com


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:

>>http://classic.chem.msu.su/gran/gamess/comm_line.htmlhttp://classic.chem.msu.su/gran/gamess/comm_line.htmlhttp://classic.chem.msu.su/gran/gamess/comm_line.htmlhttp://classic.chem.msu.su/gran/gamess/comm_line.html

>>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)?


[ Previous ] [ Next ] [ Index ]           Tue Dec 11 '12 12:34pm
[ Reply ] [ Edit ] [ Delete ]           This message read 576 times