Alex Granovsky
gran@classic.chem.msu.su
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
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>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.
>