It's a Scalapack library, called by PZHEED (in LAXlib/zhpev_drv.f90). As long as the call to the latter is correct, no such error should occur
Paolo On Sat, Jan 7, 2017 at 2:02 AM, Mofrad, Amir Mehdi (MU-Student) < [email protected]> wrote: > Dear all QE users and developers, > > > I have been trying to run a simple relax calculation on a cluster with 16 > processors but on my output file it keeps giving me this sentence although > it computes the total energy in between. Any help would be appreciated. > > > > PZUNMTR parameter number 16 had an illegal value > { 0, 0}: On entry to > PZUNMTR parameter number 16 had an illegal value > { 0, 0}: On entry to > PZUNMTR parameter number 16 had an illegal value > ethr = 4.84E-10, avg # of iterations = 2.0 > > total cpu time spent up to now is 754.1 secs > > total energy = -863.64188784 Ry > Harris-Foulkes estimate = -863.64188787 Ry > estimated scf accuracy < 0.00000007 Ry > > iteration # 11 ecut= 70.00 Ry beta=0.70 > Davidson diagonalization with overlap > { 0, 0}: On entry to > PZUNMTR parameter number 16 had an illegal value > { 0, 0}: On entry to > PZUNMTR parameter number 16 had an illegal value > { 0, 0}: On entry to > > > Best, > > > Amir M. Mofrad > > University of Missouri > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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