[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
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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
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