Dear Paolo, Thanks for your suggestion. Have tried what you suggested, have run the calculation on a cluster (in parallel), and on a single local machine. The same error is reproduced.
-- Naunidh Virk EPFL, ITP, Lausanne, CH. ________________________________________ De : pw_forum-bounces at pwscf.org [pw_forum-bounces at pwscf.org] de la part de Paolo Giannozzi [giannozz at democritos.it] Date d'envoi : mercredi 20 juin 2012 16:33 ? : PWSCF Forum Objet : Re: [Pw_forum] projwfc.x error with spin orbit On Wed, 2012-06-20 at 14:12 +0000, Virk Naunidh wrote: > I guess this means that the matrix is not unitary. Do you have any other > suggestions? can you reproduce the error on a different machine, number of processors, serial vs parallel compilation ? P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum
