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corrected OMP

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This commit is contained in:
Yann Garniron 2016-05-20 12:28:20 +02:00
parent f8ece7d40b
commit c7c3e9d64b
1 changed files with 4 additions and 13 deletions
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17
plugins/mrcepa0/dressing.irp.f
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@ -8,23 +8,18 @@ use bitmasks
implicit none
integer :: gen, h, p, i_state, n, t, i, h1, h2, p1, p2, s1, s2, iproc
integer(bit_kind) :: mask(N_int, 2), omask(N_int, 2)
integer(bit_kind), allocatable :: buf(:,:,:)
double precision, allocatable :: delta_ij_mwen(:,:,:,:), delta_ii_mwen(:,:,:)
integer(bit_kind) :: buf(N_int, 2, N_det_non_ref)
logical :: ok
logical, external :: detEq
delta_ij_mrcc = 0d0
delta_ii_mrcc = 0d0
i_state = 1
provide hh_shortcut psi_det_size
allocate(delta_ij_mwen(N_states,N_det_non_ref,N_det_ref,nproc), delta_ii_mwen(N_states,N_det_ref,nproc))
allocate(buf(N_int, 2, N_det_non_ref))
delta_ij_mwen = 0d0
delta_ii_mwen = 0d0
provide hh_shortcut psi_det_size lambda_mrcc
!$OMP PARALLEL DO default(none) schedule(dynamic) &
!$OMP shared(psi_det_generators, N_det_generators, hh_exists, pp_exists, N_int, hh_shortcut) &
!$OMP shared(N_states, N_det_non_ref, N_det_ref, delta_ii_mwen, delta_ij_mwen) &
!$OMP shared(N_states, N_det_non_ref, N_det_ref, delta_ii_mrcc, delta_ij_mrcc) &
!$OMP private(h, n, mask, omask, buf, ok, iproc)
do gen= 1, N_det_generators
iproc = omp_get_thread_num() + 1
@ -40,14 +35,10 @@ use bitmasks
if(ok) n = n + 1
end do
n = n - 1
if(n /= 0) call mrcc_part_dress(delta_ij_mwen(1,1,1,iproc), delta_ii_mwen(1,1,iproc),gen,n,buf,N_int,omask)
if(n /= 0) call mrcc_part_dress(delta_ij_mrcc, delta_ii_mrcc,gen,n,buf,N_int,omask)
end do
end do
!$OMP END PARALLEL DO
do iproc=1, nproc
delta_ij_mrcc = delta_ij_mrcc + delta_ij_mwen(:,:,:,iproc)
delta_ii_mrcc = delta_ii_mrcc + delta_ii_mwen(:,:,iproc)
end do
END_PROVIDER