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Bug fix: d3.x was not working in parallel since November 2004. At 

that time mypool was substituted by me_pool instead of my_pool_id in a
few routines. Restored the correct variable in some routines. Others
remain to be checked.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6010 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
dalcorso 2009-10-15 13:20:18 +00:00
parent 13673674d6
commit bd67b88e6b
4 changed files with 10 additions and 10 deletions
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4
D3/d0rhod2v.f90
View File

@ -23,7 +23,7 @@ SUBROUTINE d0rhod2v (ipert, drhoscf)
USE wavefunctions_module, ONLY : evc
USE phcom
USE d3com
USE mp_global, ONLY : me_pool, root_image, inter_pool_comm, intra_pool_comm
USE mp_global, ONLY : my_pool_id, inter_pool_comm, intra_pool_comm
USE mp, ONLY : mp_sum
!
IMPLICIT NONE
@ -70,7 +70,7 @@ SUBROUTINE d0rhod2v (ipert, drhoscf)
!
! Here the contribution deriving from the local part of the potential
!
IF ( me_pool == root_image ) THEN
IF ( my_pool_id == 0 ) THEN
!
! ... computed only by the first pool (no sum over k needed)
!

6
D3/d3_exc.f90
View File

@ -21,8 +21,8 @@ SUBROUTINE d3_exc
USE phcom
USE d3com
USE io_global, ONLY : ionode_id
USE mp_global, ONLY : inter_pool_comm, my_image_id, me_pool, &
root_image, npool, intra_pool_comm
USE mp_global, ONLY : inter_pool_comm, my_pool_id, &
npool, intra_pool_comm
USE mp, ONLY : mp_bcast, mp_sum
IMPLICIT NONE
@ -40,7 +40,7 @@ SUBROUTINE d3_exc
ALLOCATE (work3 ( nrxx))
ALLOCATE (d3dyn1( 3*nat, 3*nat, 3*nat))
IF ( me_pool == root_image ) THEN
IF ( my_pool_id == 0 ) THEN
!
! Calculates third derivative of Exc
!

6
D3/d3_setup.f90
View File

@ -54,7 +54,7 @@ SUBROUTINE d3_setup()
USE constants, ONLY : degspin
USE phcom
USE d3com
USE mp_global, ONLY : npool, me_pool, inter_pool_comm
USE mp_global, ONLY : npool, my_pool_id, inter_pool_comm
USE mp, ONLY : mp_max, mp_min
USE funct, ONLY : dmxc, dmxc_spin
!
@ -304,11 +304,11 @@ SUBROUTINE d3_setup()
ENDIF
ENDDO
npert_i = 1
DO ii = 1, me_pool
DO ii = 1, my_pool_id
npert_i = npert_i + nlength (ii)
ENDDO
npert_f = npert_i - 1 + nlength (me_pool+1)
npert_f = npert_i - 1 + nlength (my_pool_id+1)
#endif
!
! 8) Sets up variables needed to calculate only selected

4
D3/dqrhod2v.f90
View File

@ -22,7 +22,7 @@ SUBROUTINE dqrhod2v (ipert, drhoscf)
USE io_files, ONLY : iunigk
USE phcom
USE d3com
USE mp_global, ONLY : me_pool, root_pool
USE mp_global, ONLY : my_pool_id
USE mp_global, ONLY : inter_pool_comm, intra_pool_comm
USE mp, ONLY : mp_sum
!
@ -63,7 +63,7 @@ SUBROUTINE dqrhod2v (ipert, drhoscf)
!
! ... computed only by the first pool (no sum over k needed)
!
IF ( me_pool == root_pool ) THEN
IF ( my_pool_id == 0 ) THEN
!
work0 (:) = drhoscf(:)
CALL cft3 (work0, nr1, nr2, nr3, nrx1, nrx2, nrx3, - 1)