[Pw_forum] projwfc.x error with spin orbit

[Virk Naunidh]

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
À : 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


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