[Pw_forum] Did the wfc file must output during the calculation?

Paolo Giannozzi giannozz at democritos.it
Wed Jun 4 14:56:25 CEST 2008


r95222066 at ntu.edu.tw wrote:

>     I had a little question about the wfc file. We all know during the  
> igk.* file companyed with the calculation.

do we?

> Because the output  
> wfc file was too big to disk space about 100G. That situation cost a  
> lot of disk space. So I wondering to know that is there any parameter  
> to control the output wfc file.

there are several parameters controlling disk space requirements:
   http://www.quantum-espresso.org/wiki/index.php/Performance_issues
This will also be useful:
http://www.quantum-espresso.org/wiki/index.php/Running_on_parallel_machines#Understanding_parallel_I.2FO
Note that if your wavefunction file is 100Gb, you will need at least
100Gb RAM (total, i.e. summed over the processors)

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



More information about the users mailing list