[Pw_forum] Relax writes out an odd sentence between the calculation

[Mofrad, Amir Mehdi (MU-Student)]

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
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