Some cleaning.

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12563 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
puma 2016-07-06 12:58:46 +00:00
parent 55d3a2f694
commit abf5013743
1 changed files with 12 additions and 42 deletions

View File

@ -227,9 +227,7 @@ CONTAINS
! Subroutine body
!
call mp_barrier( world_comm )
write(stdout,*) 'ATT1.0'
FLUSH(stdout)
tk = .false.
@ -245,9 +243,7 @@ CONTAINS
! compute number of points per plane
ncplane = fc%nrx1t * fc%nrx2t
ncplanes = fc%nrx1t * fc%nrx2t
call mp_barrier( world_comm )
write(stdout,*) 'ATT1.1'
FLUSH(stdout)
!
! check the number of plane per process
@ -264,9 +260,6 @@ CONTAINS
! Now compute for each point of the big plane how many column have
! non zero vectors on the smooth and thick mesh
!
call mp_barrier( world_comm )
write(stdout,*) 'ATT1.2'
FLUSH(stdout)
n1 = fc%nr1t + 1
n2 = fc%nr2t + 1
@ -285,16 +278,11 @@ CONTAINS
! ... The value of the element (i,j) of the map ( st ) is equal to the
! ... number of G-vector belonging to the (i,j) stick.
!
call mp_barrier( world_comm )
write(stdout,*) 'ATT1.3'
FLUSH(stdout)
CALL sticks_maps( tk, ub, lb, fc%bg_t(:,1), fc%bg_t(:,2), fc%bg_t(:,3), fc%gcutmt, gkcut, fc%gcutmt, st, &
&stw, sts ,me_pool,nproc_pool,intra_pool_comm)
write(stdout,*) 'ATT1.3.1'
FLUSH(stdout)
nct = count( st > 0 )
ncts = count( sts > 0 )
@ -323,8 +311,6 @@ CONTAINS
! ... nct counts columns containing G-vectors for the dense grid
! ... ncts counts columns contaning G-vectors for the smooth grid
!
write(stdout,*) 'ATT1.5'
FLUSH(stdout)
CALL sticks_countg( tk, ub, lb, st, stw, sts, in1, in2, ngc, ngkc, ngcs )
@ -337,8 +323,7 @@ CONTAINS
CALL sticks_pairup( tk, ub, lb, idx, in1, in2, ngc, ngkc, ngcs, nct, &
ncp, nkcp, ncps, ngp, ngkp, ngps, st, stw, sts ,nproc_pool)
write(stdout,*) 'ATT1.6'
FLUSH(stdout)
! set the total number of G vectors
@ -593,25 +578,17 @@ SUBROUTINE initialize_fft_custom(fc)
fc%tpiba_t=tpiba
fc%tpiba2_t=tpiba2
call mp_barrier( world_comm )
write(stdout,*) 'ATT1'
FLUSH(stdout)
call set_custom_grid(fc)
call mp_barrier( world_comm )
write(stdout,*) 'ATT2'
FLUSH(stdout)
call data_structure_custom(fc)
call mp_barrier( world_comm )
write(stdout,*) 'ATT3'
FLUSH(stdout)
allocate(fc%nlt(fc%ngmt))
allocate(fc%nltm(fc%ngmt))
write(stdout,*) 'ATT4'
FLUSH(stdout)
call ggent(fc)
@ -646,25 +623,18 @@ SUBROUTINE initialize_fft_custom_cell(fc)
!fc%tpiba_t=tpiba
!fc%tpiba2_t=tpiba2
call mp_barrier( world_comm )
write(stdout,*) 'ATT1'
FLUSH(stdout)
call set_custom_grid(fc)
call mp_barrier( world_comm )
write(stdout,*) 'ATT2'
FLUSH(stdout)
call data_structure_custom(fc)
call mp_barrier( world_comm )
write(stdout,*) 'ATT3'
FLUSH(stdout)
allocate(fc%nlt(fc%ngmt))
allocate(fc%nltm(fc%ngmt))
write(stdout,*) 'ATT4'
FLUSH(stdout)
call ggent(fc)