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Re: Memory shortage

Alex Granovsky
gran@classic.chem.msu.su


Hi,

create a simple script to launch Firefly and put the following line into it:

ulimit -s 2048

Then you'll be able to allocate more memory on most Linux systems
(up to ca. 490 MWords with Firefly 8.0.0 beta)

Regards,
Alex Granovsky


On Thu Feb 9 '12 5:48pm, Vyacheslav wrote
-----------------------------------------
>Hi,
>I've faced a problem of memory shortage. In out file I have received the following message on the first step of optimization:

> NOT ENOUGH MEMORY FOR THE TWO-ELECTRON GRADIENT
> YOU WILL NEED AT LEAST  385 089 116 WORDS.

>Under Linux FF takes only about 370 mwords (about Windows it is not necessary to speak...). Is it possible to make something? (note, it is impossible to reduce a basic set).

>If to put  "dirscf=f"  instead of  " dirscf=t"  it can to help?
>I am afraid that in this case the calculation time will increase in 3-4 times, nevertheless half a loaf is better than no bread.
>Thanks in advance.
>


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