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https://github.com/LCPQ/quantum_package
synced 2024-12-25 05:43:47 +01:00
Fix travis
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@ -185,9 +185,9 @@ subroutine H_S2_u_0_nstates_openmp_work_$N_int(v_t,s_t,u_t,N_st,sze,istart,iend,
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ASSERT (kcol <= N_det_beta_unique)
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ASSERT (kcol <= N_det_beta_unique)
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tmp_det(1:$N_int,1) = psi_det_alpha_unique(1:$N_int, krow)
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tmp_det(1:$N_int,1) = psi_det_alpha_unique(1:$N_int, krow)
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tmp_det(1:$N_int,2) = psi_det_beta_unique (1:$N_int, kcol)
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if (kcol /= kcol_prev) then
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if (kcol /= kcol_prev) then
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tmp_det(1:$N_int,2) = psi_det_beta_unique (1:$N_int, kcol)
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call get_all_spin_singles_$N_int( &
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call get_all_spin_singles_$N_int( &
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psi_det_beta_unique, idx0, &
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psi_det_beta_unique, idx0, &
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tmp_det(1,2), N_det_beta_unique, &
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tmp_det(1,2), N_det_beta_unique, &
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@ -210,7 +210,7 @@ subroutine H_S2_u_0_nstates_openmp_work_$N_int(v_t,s_t,u_t,N_st,sze,istart,iend,
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lrow = psi_bilinear_matrix_rows(l_a)
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lrow = psi_bilinear_matrix_rows(l_a)
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ASSERT (lrow <= N_det_alpha_unique)
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ASSERT (lrow <= N_det_alpha_unique)
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buffer(1:$N_int,j) = psi_det_alpha_unique(1:$N_int, lrow)
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buffer(1:$N_int,j) = psi_det_alpha_unique(1:$N_int, lrow) ! hot spot
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ASSERT (l_a <= N_det)
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ASSERT (l_a <= N_det)
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idx(j) = l_a
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idx(j) = l_a
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@ -284,7 +284,7 @@ subroutine H_S2_u_0_nstates_openmp_work_$N_int(v_t,s_t,u_t,N_st,sze,istart,iend,
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lrow = psi_bilinear_matrix_rows(l_a)
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lrow = psi_bilinear_matrix_rows(l_a)
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ASSERT (lrow <= N_det_alpha_unique)
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ASSERT (lrow <= N_det_alpha_unique)
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buffer(1:$N_int,i) = psi_det_alpha_unique(1:$N_int, lrow)
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buffer(1:$N_int,i) = psi_det_alpha_unique(1:$N_int, lrow) ! Hot spot
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idx(i) = l_a
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idx(i) = l_a
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l_a = l_a+1
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l_a = l_a+1
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enddo
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enddo
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@ -153,13 +153,13 @@ integer function zmq_put_psi_bilinear(zmq_to_qp_run_socket,worker_id)
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return
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return
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endif
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endif
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integer*8, external :: zmq_put_N_det_alpha_unique
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integer, external :: zmq_put_N_det_alpha_unique
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if (zmq_put_N_det_alpha_unique(zmq_to_qp_run_socket,worker_id) == -1) then
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if (zmq_put_N_det_alpha_unique(zmq_to_qp_run_socket,worker_id) == -1) then
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zmq_put_psi_bilinear = -1
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zmq_put_psi_bilinear = -1
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return
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return
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endif
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endif
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integer*8, external :: zmq_put_N_det_beta_unique
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integer, external :: zmq_put_N_det_beta_unique
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if (zmq_put_N_det_beta_unique(zmq_to_qp_run_socket,worker_id) == -1) then
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if (zmq_put_N_det_beta_unique(zmq_to_qp_run_socket,worker_id) == -1) then
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zmq_put_psi_bilinear = -1
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zmq_put_psi_bilinear = -1
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return
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return
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@ -242,13 +242,13 @@ integer function zmq_get_psi_bilinear(zmq_to_qp_run_socket, worker_id)
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endif
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endif
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integer*8, external :: zmq_get_N_det_alpha_unique
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integer, external :: zmq_get_N_det_alpha_unique
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if (zmq_get_N_det_alpha_unique(zmq_to_qp_run_socket,worker_id) == -1) then
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if (zmq_get_N_det_alpha_unique(zmq_to_qp_run_socket,worker_id) == -1) then
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zmq_get_psi_bilinear = -1
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zmq_get_psi_bilinear = -1
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return
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return
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endif
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endif
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integer*8, external :: zmq_get_N_det_beta_unique
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integer, external :: zmq_get_N_det_beta_unique
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if (zmq_get_N_det_beta_unique(zmq_to_qp_run_socket,worker_id) == -1) then
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if (zmq_get_N_det_beta_unique(zmq_to_qp_run_socket,worker_id) == -1) then
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zmq_get_psi_bilinear = -1
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zmq_get_psi_bilinear = -1
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return
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return
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