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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