For phonon calcs at gamma, has VASP worked out how to continue an interrupted run? I get too many modes to calculate, and even worse, whenever the parallel job collapses before its completion, I have to redo all the calculation from the beginning.
x)
How to continue an interrupted phonon calculation?
Moderators: Global Moderator, Moderator
-
Tiger-paw
How to continue an interrupted phonon calculation?
Last edited by Tiger-paw on Thu Sep 21, 2006 3:59 pm, edited 1 time in total.
-
alex
- Hero Member
- Posts: 586
- Joined: Tue Nov 16, 2004 2:21 pm
- License Nr.: 5-67
- Location: Germany
How to continue an interrupted phonon calculation?
Hi Tiger-paw,
I once did a posting about that story, but I can't find it again. The story is, there is now way it works with the standard vasp. So I wrote myself some extension, which is working mostly
)
It also can use your interrupted OUTCAR for starters ...
alex
I once did a posting about that story, but I can't find it again. The story is, there is now way it works with the standard vasp. So I wrote myself some extension, which is working mostly
)It also can use your interrupted OUTCAR for starters ...
alex
Last edited by alex on Tue Oct 31, 2006 9:23 am, edited 1 time in total.
-
camilo
- Newbie
- Posts: 21
- Joined: Fri Jun 22, 2007 11:29 pm
How to continue an interrupted phonon calculation?
This is one of the biggest problems with VASP, it seems. A phonon calculation with a real system can take a week, or more, to finish. If the processor crashes in the midst of one of these calculations, all is lost.
Last edited by camilo on Thu Jun 03, 2010 9:35 pm, edited 1 time in total.