[Pw_forum] Many calculations with the same temporary directory

[Paolo Giannozzi]

As long as you either use a different directory ("outdir") or different
filenames ("prefix"), there shouldn't be any problem. This is how code
"manypw.x" works, by the way. Some files with fixed names like those
produced by molecular dynamics may be overwritten, though, but this will
not affect the results.

Paolo

On Wed, Apr 27, 2016 at 6:17 PM, Francesco Pelizza <
francesco.pelizza at strath.ac.uk> wrote:

> Hi Dear,
>
> I have a silly question that I would really like to be sure about. sorry
> for that!
>
> Doing several dependent or NOT dependent to each otehr calculations,
> such as for example many: vc-relax, relax or scf, and running them with
> the same temporary directory without clearing the temporary folder at
> each calculation end:
>
> Can make problems and contaminate results of different calculations?
>
> I made many tests, it never seemed to me simulations contaminates each
> others, since everyone creates their own temporary files, but I ask you
> that anyway to be extra sure that there are no cases where independent
> or dependent calculations can cross contaminate their results if sharing
> the same temporary folder.
>
> Keeping the same temporary folder for many calculations makes any real
> problem to results?
>
> Thank you very much in advance
>
> Francesco Pelizza
> University of Strathclyde
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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