I agree that it should be automatic, but, in any case I've tried, ph.x doesn't find the other directories.
--William On Jul 25, 2012, at 12:45 PM, Paolo Giannozzi wrote: > > On Jul 25, 2012, at 16:13 , William Parker wrote: > >> Each image will output to its own output file labeled out.i_0 where >> i runs from 1 to N_image - 1. The frequencies in these files will >> be garbage unless all of the representations for a particular q- >> point are contained in one image. After you run the image- >> parallelized run, you must copy the data-file.*.*.xml files (not >> the data-file.*.xml files) to the _ph0/(prefix).phsave/ directory >> and run again on one image with recover=.true. in your input file. >> This will produce the correct frequencies in the output file and >> the (prefix).dyn* files. > > funny: "image" parallelization (the one done with MPI, not with separate > calculations on a grid) should automatically perform the final step of > collecting results. > > P. > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum ********************************************************* William D. Parker phone: (630) 252-4834 Computational Postdoctoral Fellow fax: (630) 252-4798 MSD-212, Rm. C-215 Argonne National Laboratory 9700 S. Cass Ave. Argonne, IL 60439 *********************************************************
