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?
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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.
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alex
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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.
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camilo
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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.