[CPMD-list] getting the output files just at the end

[Juerg Hutter]

Hi

> Dear cpmd-list:
>     I know that CPMD writes the output files after each time step. but I want to know if there would be a way to force cpmd writes the files just at the end of the running of the program. I have tested that the compress write wont solve the problem.updating the files at each step will take lots of time and it is time consuming.
>

Are you sure that this is a problem? My experience is that
writing files is only a problem on extremly fast
computers (with 100's of CPUs).
But if you want you can try to increase the file buffer
and decrease the frequency of the trajectory writing
(see manual).

regards

Juerg Hutter

>
> __________________________________________________
> Do You Yahoo!?
> Tired of spam?  Yahoo! Mail has the best spam protection around
> http://mail.yahoo.com