mirror of https://gitlab.com/QEF/q-e.git
Some cleaning.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12563 c92efa57-630b-4861-b058-cf58834340f0
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@ -227,9 +227,7 @@ CONTAINS
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! Subroutine body
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!
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call mp_barrier( world_comm )
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write(stdout,*) 'ATT1.0'
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FLUSH(stdout)
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tk = .false.
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@ -245,9 +243,7 @@ CONTAINS
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! compute number of points per plane
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ncplane = fc%nrx1t * fc%nrx2t
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ncplanes = fc%nrx1t * fc%nrx2t
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call mp_barrier( world_comm )
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write(stdout,*) 'ATT1.1'
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FLUSH(stdout)
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!
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! check the number of plane per process
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@ -264,9 +260,6 @@ CONTAINS
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! Now compute for each point of the big plane how many column have
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! non zero vectors on the smooth and thick mesh
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!
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call mp_barrier( world_comm )
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write(stdout,*) 'ATT1.2'
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FLUSH(stdout)
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n1 = fc%nr1t + 1
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n2 = fc%nr2t + 1
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@ -285,15 +278,10 @@ CONTAINS
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! ... The value of the element (i,j) of the map ( st ) is equal to the
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! ... number of G-vector belonging to the (i,j) stick.
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!
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call mp_barrier( world_comm )
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write(stdout,*) 'ATT1.3'
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FLUSH(stdout)
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CALL sticks_maps( tk, ub, lb, fc%bg_t(:,1), fc%bg_t(:,2), fc%bg_t(:,3), fc%gcutmt, gkcut, fc%gcutmt, st, &
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&stw, sts ,me_pool,nproc_pool,intra_pool_comm)
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write(stdout,*) 'ATT1.3.1'
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FLUSH(stdout)
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nct = count( st > 0 )
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ncts = count( sts > 0 )
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@ -323,8 +311,6 @@ CONTAINS
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! ... nct counts columns containing G-vectors for the dense grid
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! ... ncts counts columns contaning G-vectors for the smooth grid
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!
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write(stdout,*) 'ATT1.5'
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FLUSH(stdout)
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CALL sticks_countg( tk, ub, lb, st, stw, sts, in1, in2, ngc, ngkc, ngcs )
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@ -337,8 +323,7 @@ CONTAINS
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CALL sticks_pairup( tk, ub, lb, idx, in1, in2, ngc, ngkc, ngcs, nct, &
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ncp, nkcp, ncps, ngp, ngkp, ngps, st, stw, sts ,nproc_pool)
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write(stdout,*) 'ATT1.6'
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FLUSH(stdout)
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! set the total number of G vectors
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@ -593,25 +578,17 @@ SUBROUTINE initialize_fft_custom(fc)
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fc%tpiba_t=tpiba
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fc%tpiba2_t=tpiba2
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call mp_barrier( world_comm )
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write(stdout,*) 'ATT1'
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FLUSH(stdout)
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call set_custom_grid(fc)
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call mp_barrier( world_comm )
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write(stdout,*) 'ATT2'
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FLUSH(stdout)
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call data_structure_custom(fc)
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call mp_barrier( world_comm )
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write(stdout,*) 'ATT3'
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FLUSH(stdout)
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allocate(fc%nlt(fc%ngmt))
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allocate(fc%nltm(fc%ngmt))
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write(stdout,*) 'ATT4'
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FLUSH(stdout)
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call ggent(fc)
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@ -646,25 +623,18 @@ SUBROUTINE initialize_fft_custom_cell(fc)
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!fc%tpiba_t=tpiba
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!fc%tpiba2_t=tpiba2
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call mp_barrier( world_comm )
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write(stdout,*) 'ATT1'
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FLUSH(stdout)
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call set_custom_grid(fc)
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call mp_barrier( world_comm )
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write(stdout,*) 'ATT2'
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FLUSH(stdout)
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call data_structure_custom(fc)
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call mp_barrier( world_comm )
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write(stdout,*) 'ATT3'
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FLUSH(stdout)
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allocate(fc%nlt(fc%ngmt))
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allocate(fc%nltm(fc%ngmt))
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write(stdout,*) 'ATT4'
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FLUSH(stdout)
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call ggent(fc)
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