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This commit is contained in:
Kevin Gasperich 2020-02-25 10:26:53 -06:00
parent f7a7ba2a3e
commit 7e3e2b9db9
1 changed files with 2 additions and 3 deletions
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src/determinants/h_apply.irp.f
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@ -27,7 +27,7 @@ type(H_apply_buffer_type), pointer :: H_apply_buffer(:)
allocate(H_apply_buffer(0:nproc-1)) allocate(H_apply_buffer(0:nproc-1))
iproc = 0 iproc = 0
!$OMP PARALLEL PRIVATE(iproc) DEFAULT(NONE) & !$OMP PARALLEL PRIVATE(iproc) DEFAULT(NONE) &
!$OMP SHARED(H_apply_buffer,N_int,sze,N_states,H_apply_buffer_lock) !$OMP SHARED(H_apply_buffer,N_int,sze,N_states,H_apply_buffer_lock,is_complex)
!$ iproc = omp_get_thread_num() !$ iproc = omp_get_thread_num()
H_apply_buffer(iproc)%N_det = 0 H_apply_buffer(iproc)%N_det = 0
H_apply_buffer(iproc)%sze = sze H_apply_buffer(iproc)%sze = sze
@ -225,6 +225,7 @@ subroutine copy_H_apply_buffer_to_wf
endif endif
! Copy new buffers ! Copy new buffers
logical :: found_duplicates
if (is_complex) then if (is_complex) then
!$OMP PARALLEL DEFAULT(SHARED) & !$OMP PARALLEL DEFAULT(SHARED) &
@ -253,7 +254,6 @@ subroutine copy_H_apply_buffer_to_wf
!$OMP END PARALLEL !$OMP END PARALLEL
SOFT_TOUCH N_det psi_det psi_coef_complex SOFT_TOUCH N_det psi_det psi_coef_complex
logical :: found_duplicates
call remove_duplicates_in_psi_det(found_duplicates) call remove_duplicates_in_psi_det(found_duplicates)
do k=1,N_states do k=1,N_states
call normalize(psi_coef_complex(1,k),N_det) call normalize(psi_coef_complex(1,k),N_det)
@ -287,7 +287,6 @@ subroutine copy_H_apply_buffer_to_wf
!$OMP END PARALLEL !$OMP END PARALLEL
SOFT_TOUCH N_det psi_det psi_coef SOFT_TOUCH N_det psi_det psi_coef
logical :: found_duplicates
call remove_duplicates_in_psi_det(found_duplicates) call remove_duplicates_in_psi_det(found_duplicates)
do k=1,N_states do k=1,N_states
call normalize(psi_coef(1,k),N_det) call normalize(psi_coef(1,k),N_det)