ABINIT Discussion Forums

Posted: **Mon Dec 19, 2011 4:03 pm**

Hello
I would like to know if there are some option to do not store all the wavefunctions and densities in a BFGS minimization. I was trying with a ptr... variables, but I didn't get success. The problem is that I have many steps in the minimization and the output become very large, indeed 8Gb, ans the calculation stops
thanks in advance

Posted: **Mon Dec 19, 2011 7:42 pm**

Hi,

Did you use :

Code: Select all

prtwf 0

Could you post your input file?

Jonathan

Posted: **Mon Dec 19, 2011 7:56 pm**

prtwf 0
prtden 0
prteig 0

should be enough to turn off all such output.

Posted: **Mon Dec 19, 2011 9:31 pm**

Thanks
I think that I was misunderstood the prtden explanation

ABINIT Discussion Forums

[answered] Output files very large

[answered] Output files very large

Re: Output files very large

Re: Output files very large

Re: Output files very large