On Aug 30, 2011, at 12:29 , Ramesh Kumar wrote: >* My problem is, when I use the older version of PWScf (v.4.0.1),*>* the >output file is writing that the program is using a parallel*>* distributed >memory algorithm and when I use the new version*>* (v.4.3.1), a serial >algorithm was used. Would you please let*>* me know the possible cause.* different default behavior. The parallel subspace diagonalization is not always convenient wrt the serial one so it is no longer assumed by default. You can explicitly select parallel subspace diagonalization with command-line option "-ndiag N", with N a square integer
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 Dear Paolo Giannozzi, With this command-line option I am able to use the parallel subspace diagonalization. Thank you very much. *With Best Regards:* > * > * > *CH. Ramesh Kumar, > Research Student, > Computational Chemistry Lab, > IICT-** > Hyderabad. > * > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110830/c2f9eeed/attachment.htm
