Changing input file

Message

Leny · #1 Post by **Leny** » Thu May 02, 2013 11:56 am

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?

#2 Post by **admin** » Mon May 06, 2013 10:57 am

it depends on how our queuing system handles pending request, but usually any changes can be made until vasp has started to run.

Leny · #3 Post by **Leny** » Tue May 07, 2013 1:52 pm

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

#4 Post by **admin** » Wed May 08, 2013 10:20 am

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.

Leny · #5 Post by **Leny** » Wed May 08, 2013 12:46 pm

I get it now, thank you very much