> > ------------------------------ > On Aug 20, 2011, at 8:56 , Ramesh Kumar wrote: > > > Please somebody let me know about > > > > "Subspace diagonalization in iterative solution of the eigenvalue > > problem: > > a serial algorithm will be used" > > do you know how iterative diagonalization (or iterative > orthonormalization in Car-Parrinello) works? > > 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, The iterative diagonalization works both in serial and parallel manner. I am writing my question in detail here. 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. Thank you. *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/d6e1d7d5/attachment.htm
