[Pw_forum] Problems with CP when multiplicity>1

Giovanni La Penna glapenna at iccom.cnr.it
Thu Feb 4 11:40:38 CET 2010


When running cp (QE-4.1) with nelup>neldw (or equivalently
with multiplicity>1) in parallel environment
the program cp.x stops with the error:

from  redist_row2col  : error #         1
inconsistent size n

given by the call of redist_row2col in CPV/ortho.f90.

I made the following change in CPV/ortho.f90:

!old code
!            CALL redist_row2col( nupdwn(1), bephi(1,nlax+1), &
  bephi_c(1,nlax+1), nkbx, nlax, descla(1,2) )
!new code
             CALL redist_row2col( nupdwn(1), bephi(1,nlax+1), &
  bephi_c(1,nlax+1), nkbx, nlax, descla(1,1) )

And the program continues. Please, tell me if results
are reliable.
Thank you,
            Giovanni La Penna
============================================================
Giovanni La Penna - National research council (Cnr)
Institute for chemistry of organo-metallic compounds (Iccom)
via Madonna del Piano 10,
I-50019 Sesto Fiorentino, Firenze, Italy
tel.: +39 055 522-5264, fax: +39 055 522-5203
e-mail: glapenna at iccom.cnr.it - http://www.iccom.cnr.it/lapenna
skype: giovannilapenna
============================================================



More information about the users mailing list