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
