Author Topic: running two escf calculations at the same time  (Read 4523 times)

golden

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running two escf calculations at the same time
« on: March 08, 2012, 01:08:16 PM »
Hi All,
   Is it possible to run two escf (TDDFT) calculations at the same time?
I am asking this because, the escf calculation might have scratch files where it has the same name ?  Do I need to specify file name of scratch files for eg; twoint file (anyway it has been specified as size=0)
I tried to run this sort of thing once but computer hanged but not sure it was a memory problem or not. would like to have some insight to the problem.

Thanks in advance


antti_karttunen

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Re: running two escf calculations at the same time
« Reply #1 on: March 08, 2012, 02:23:14 PM »
Hi,

Do you mean two escf calculations in the same or different directories? You can definitely run two escf jobs at the same time if they are in different directories (just make sure that you have enough CPU cores, RAM and disk available for this). However, never try to run two jobs at the same time in the same directory using the same control file :-)

Best,
Antti