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Changing input file

Posted: Thu May 02, 2013 11:56 am
by Leny
Dear vasp experts,

when I am making a simulation and did submit my calculation, while it is in the queue ( it is waiting to be run), my question is if I make a change in one of my input files (POSCAR, POTCAR, KPOINTS or INCAR) while it is waiting, does Vasp take this change in to account? or while we submit it, it is taking all input data! and the change will be uncounted?

Changing input file

Posted: Mon May 06, 2013 10:57 am
by admin
it depends on how our queuing system handles pending request, but usually any changes can be made until vasp has started to run.

Changing input file

Posted: Tue May 07, 2013 1:52 pm
by Leny
Thank you for the answer, I have another question if you can answer this too it will be great and it is, after Vasp has started to run and we make any change to these files, does it affect on the running or Vasp takes the inputfiles when starting to calculate and changing the data will not have any affect on it!
Hope the question is clear

Changing input file

Posted: Wed May 08, 2013 10:20 am
by admin
The job uses data as they are read in the moment of the start. Later changes in input files have no effect on the running calculation.

Changing input file

Posted: Wed May 08, 2013 12:46 pm
by Leny
I get it now, thank you very much