scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

- call to init_diag made more clear, hopefully.. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12267 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
ccavazzoni 2016-03-29 21:26:11 +00:00
parent 7759830031
commit 6ab6d4765f
1 changed files with 11 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

15
Modules/mp_global.f90
View File

@ -58,7 +58,7 @@ CONTAINS
LOGICAL, INTENT(IN), OPTIONAL :: diag_in_band_group
LOGICAL :: do_images
LOGICAL :: do_diag_in_band
INTEGER :: my_comm
INTEGER :: my_comm, num_groups, group_id
!
my_comm = MPI_COMM_WORLD
IF ( PRESENT(my_world_comm) ) my_comm = my_world_comm
@ -79,14 +79,21 @@ CONTAINS
!
do_diag_in_band = .FALSE.
IF ( PRESENT(diag_in_band_group) ) do_diag_in_band = diag_in_band_group
!
IF( do_diag_in_band ) THEN
! used to be one diag group per bgrp
CALL mp_start_diag ( ndiag_, intra_bgrp_comm, npool_* nimage_ * nband_ , &
my_bgrp_id + (my_pool_id + my_image_id * npool_ ) * nband_ )
! with strict hierarchy: POOL > BAND > DIAG
num_groups = npool_* nimage_ * nband_
group_id = my_bgrp_id + (my_pool_id + my_image_id * npool_ ) * nband_
my_comm = intra_bgrp_comm
ELSE
! one diag group per pool ( individual k-point level )
CALL mp_start_diag ( ndiag_, intra_pool_comm, npool_ * nimage_ , my_pool_id + my_image_id * npool_ )
! with band group and diag group both being children of POOL comm
num_groups = npool_* nimage_
group_id = my_pool_id + my_image_id * npool_
my_comm = intra_pool_comm
END IF
CALL mp_start_diag ( ndiag_, my_comm, num_groups , group_id )
!
RETURN
!