[Pw_forum] Chosing output file name using the -in/input option
Paolo Giannozzi
giannozz at democritos.it
Wed Jul 15 17:31:32 CEST 2009
Sylvian Cadars wrote:
> I tried and it seems to work. PWscf now does write the output in the
> file 'some_file_name'. So I guess that the idea is then to use the
> command 'mv' in my script to change this file (thus used as a temporary
> file fir each job) to the file name I want. Am I correct?
I htink so. It would be possible and not too difficult to add
a "-out some_file" option tot pw.x : see flib/inpfile.f90.
Some MPI implementations may have a problem with command line
options, though!
> Am I then supposed to apply these changes to all the programs I want to
> use (e.g. gipaw.x, band.x, and maybe others) ?
IIRC PW/startup.f90 is called by almost all quantum-espresso
codes
Paolo
--
Paolo Giannozzi, Democritos and University of Udine, Italy
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