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

[Paolo Giannozzi]

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) <
amzf5 at mail.missouri.edu> 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
>
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>



-- 
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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