Ooops ... forgot to change the arguments of divide_et_impera

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12894 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2016-08-31 17:25:16 +00:00
parent b02d811a7c
commit 6468059ea3
5 changed files with 6 additions and 24 deletions

View File

@ -301,7 +301,7 @@ SUBROUTINE read_xml_file_internal(withbs)
! ... nks is defined by the following routine as the number
! ... of k-points in the current pool
!
CALL divide_et_impera( xk, wk, isk, lsda, nkstot, nks )
CALL divide_et_impera( nkstot, xk, wk, isk, nks )
!
CALL poolscatter( nbnd, nkstot, et, nks, et )
CALL poolscatter( nbnd, nkstot, wg, nks, wg )

View File

@ -633,20 +633,11 @@ SUBROUTINE setup()
!
IF ( nkstot > npk ) CALL errore( 'setup', 'too many k points', nkstot )
!
#ifdef __MPI
!
!
! ... distribute k-points (and their weights and spin indices)
!
kunit = 1
CALL divide_et_impera( xk, wk, isk, lsda, nkstot, nks )
CALL divide_et_impera ( nkstot, xk, wk, isk, nks )
!
#else
!
nks = nkstot
!
#endif
IF ( dft_is_hybrid() ) THEN
CALL exx_grid_init()
CALL exx_div_check()

View File

@ -147,8 +147,6 @@ SUBROUTINE lr_setup_nscf ()
!
qnorm = sqrt(xq(1)**2 + xq(2)**2 + xq(3)**2)
!
#ifdef __MPI
!
! ... set the granularity for k-point distribution
!
IF ( ABS( xq(1) ) < eps8 .AND. ABS( xq(2) ) < eps8 .AND. &
@ -164,13 +162,7 @@ SUBROUTINE lr_setup_nscf ()
!
! ... distribute k-points (and their weights and spin indices)
!
CALL divide_et_impera( xk, wk, isk, lsda, nkstot, nks )
!
#else
!
nks = nkstot
!
#endif
CALL divide_et_impera( nkstot, xk, wk, isk, nks )
!
CALL stop_clock( 'lr_setup_nscf' )
!

View File

@ -36,10 +36,9 @@ SUBROUTINE reset_k_points_and_reinit_nscf()
nkstot=nks
CALL divide_et_impera( nkstot, xk, wk, isk, nks )
CALL divide_et_impera( xk, wk, isk, lsda, nkstot, nks )
! ... Setting the values for the nscf run
! ... Setting the values for the nscf run
!
startingconfig = 'input'
starting_pot = 'file'

View File

@ -228,7 +228,7 @@ PROGRAM X_Spectra
! wk(1:nkstot)=2.d0/nkstot
ENDIF
wk(1:nkstot)=2.d0/nkstot
CALL divide_et_impera( xk, wk, isk, lsda, nkstot, nks )
CALL divide_et_impera( nkstot, xk, wk, isk, nks )
ENDIF