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

simplification of mp_bands_util module 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13713 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
degironc 2017-08-09 05:58:51 +00:00
parent a8340b4d40
commit d1d56024f7
1 changed files with 0 additions and 104 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

104
UtilXlib/mp_bands_util.f90
View File

@ -44,75 +44,6 @@ MODULE mp_bands_util
#endif
CONTAINS
!
!----------------------------------------------------------------------------
SUBROUTINE mp_start_bands( nband_, ntg_, parent_comm )
!---------------------------------------------------------------------------
!
! ... Divide processors (of the "parent_comm" group) into nband_ pools
! ... Requires: nband_, read from command line
! ... parent_comm, typically processors of a k-point pool
! ... (intra_pool_comm)
!
IMPLICIT NONE
!
INTEGER, INTENT(IN) :: nband_, parent_comm
INTEGER, INTENT(IN), OPTIONAL :: ntg_
!
INTEGER :: parent_nproc = 1, parent_mype = 0
!
#if defined (__MPI)
!
parent_nproc = mp_size( parent_comm )
parent_mype = mp_rank( parent_comm )
!
! ... nband_ must have been previously read from command line argument
! ... by a call to routine get_command_line
!
nbgrp = nband_
!
IF ( nbgrp < 1 .OR. nbgrp > parent_nproc ) CALL errore( 'mp_start_bands',&
'invalid number of band groups, out of range', 1 )
IF ( MOD( parent_nproc, nbgrp ) /= 0 ) CALL errore( 'mp_start_bands', &
'n. of band groups must be divisor of parent_nproc', 1 )
!
! set logical flag so that band parallelization in H\psi is allowed
! (can be disabled before calling H\psi if not desired)
!
use_bgrp_in_hpsi = ( nbgrp > 1 )
!
! ... Set number of processors per band group
!
nproc_bgrp = parent_nproc / nbgrp
!
! ... set index of band group for this processor ( 0 : nbgrp - 1 )
!
my_bgrp_id = parent_mype / nproc_bgrp
!
! ... set index of processor within the image ( 0 : nproc_image - 1 )
!
me_bgrp = MOD( parent_mype, nproc_bgrp )
!
CALL mp_barrier( parent_comm )
!
! ... the intra_bgrp_comm communicator is created
!
CALL mp_comm_split( parent_comm, my_bgrp_id, parent_mype, intra_bgrp_comm )
!
CALL mp_barrier( parent_comm )
!
! ... the inter_bgrp_comm communicator is created
!
CALL mp_comm_split( parent_comm, me_bgrp, parent_mype, inter_bgrp_comm )
!
IF ( PRESENT(ntg_) ) THEN
ntask_groups = ntg_
END IF
!
#endif
RETURN
!
END SUBROUTINE mp_start_bands
!
SUBROUTINE set_bgrp_indices(nbnd, ib_start, ib_end)
!
@ -135,40 +66,5 @@ CONTAINS
END SUBROUTINE set_bgrp_indices
INTEGER FUNCTION bgrp_start(nbnd)
!
IMPLICIT NONE
INTEGER, INTENT(IN) :: nbnd
INTEGER :: rest, nbnd_per_bgrp
rest = mod ( nbnd, nbgrp )
nbnd_per_bgrp = int( nbnd / nbgrp )
IF (rest > my_bgrp_id) THEN
bgrp_start = my_bgrp_id * (nbnd_per_bgrp+1) + 1
ELSE
bgrp_start = my_bgrp_id * nbnd_per_bgrp + rest + 1
ENDIF
END FUNCTION bgrp_start
INTEGER FUNCTION bgrp_end(nbnd)
!
IMPLICIT NONE
INTEGER, INTENT(IN) :: nbnd
INTEGER :: rest, nbnd_per_bgrp
rest = mod ( nbnd, nbgrp )
nbnd_per_bgrp = int( nbnd / nbgrp )
IF (rest > my_bgrp_id) THEN
bgrp_end = (my_bgrp_id+1) * (nbnd_per_bgrp+1)
ELSE
bgrp_end = (my_bgrp_id+1) * nbnd_per_bgrp + rest
ENDIF
END FUNCTION bgrp_end
END MODULE mp_bands_util