mirror of https://gitlab.com/QEF/q-e.git
realus now compile in parallel
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2533 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
parent
049229c9dc
commit
c55a43c068
|
@ -10,9 +10,9 @@
|
|||
!----------------------------------------------------------------------
|
||||
subroutine addusdens
|
||||
!----------------------------------------------------------------------
|
||||
USE realus, ONLY: tqr, addusdensreal
|
||||
USE realus, ONLY: tqr, addusdens_r
|
||||
if (tqr) then
|
||||
call addusdensreal
|
||||
call addusdens_r
|
||||
else
|
||||
call addusdens_g
|
||||
endif
|
||||
|
|
|
@ -8,9 +8,9 @@
|
|||
#include "f_defs.h"
|
||||
!
|
||||
SUBROUTINE newd()
|
||||
use realus, ONLY: tqr, newdrealsub
|
||||
use realus, ONLY: tqr, newd_r
|
||||
if (tqr) then
|
||||
call newdrealsub()
|
||||
call newd_r()
|
||||
else
|
||||
call newd_g()
|
||||
end if
|
||||
|
|
|
@ -57,6 +57,8 @@ contains
|
|||
USE cell_base, ONLY : at, bg
|
||||
USE parameters, ONLY : nbrx
|
||||
USE pfft, ONLY : npp
|
||||
USE mp_global, ONLY : me_pool
|
||||
|
||||
implicit none
|
||||
|
||||
integer :: inat, indm, inbrx1, inbrx2, inrxx, idimension, ilm,ih,jh,is,m, iih,ijh, ilemme
|
||||
|
@ -128,7 +130,7 @@ contains
|
|||
|
||||
index0 = 0
|
||||
#ifdef __PARA
|
||||
do indproc=1,me-1
|
||||
do indproc=1,me_pool
|
||||
index0 = index0 + nrx1*nrx2*npp(indproc)
|
||||
enddo
|
||||
|
||||
|
@ -403,7 +405,7 @@ contains
|
|||
call stop_clock('qpointlist')
|
||||
end subroutine qpointlist
|
||||
|
||||
subroutine newdrealsub
|
||||
subroutine newd_r
|
||||
|
||||
!This subroutine is the real version of newd
|
||||
!This is faster
|
||||
|
@ -503,7 +505,8 @@ contains
|
|||
|
||||
enddo
|
||||
call stop_clock('newd')
|
||||
end subroutine newdrealsub
|
||||
end subroutine newd_r
|
||||
|
||||
subroutine setqfcorr (qfcoef, rho, r, nqf, ltot, mesh)
|
||||
!-----------------------------------------------------------------------
|
||||
!
|
||||
|
@ -669,7 +672,7 @@ subroutine setqfcorrpointfirst (qfcoef, rho, r, nqf, ltot)
|
|||
return
|
||||
end subroutine setqfcorrpointsecond
|
||||
|
||||
subroutine addusdensreal
|
||||
subroutine addusdens_r
|
||||
!----------------------------------------------------------------------
|
||||
!
|
||||
! This routine adds to the charge density the part which is due to
|
||||
|
@ -723,10 +726,7 @@ subroutine addusdensreal
|
|||
!
|
||||
call stop_clock ('addusdens')
|
||||
return
|
||||
end subroutine addusdensreal
|
||||
|
||||
|
||||
|
||||
end subroutine addusdens_r
|
||||
|
||||
|
||||
!
|
||||
|
|
Loading…
Reference in New Issue