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https://github.com/LCPQ/quantum_package
synced 2024-12-23 04:43:50 +01:00
Removed prints
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eaee625df4
commit
36a6bd01c6
@ -589,7 +589,6 @@ let start_pub_thread ~port =
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else
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else
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state
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state
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in
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in
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print_endline (string_of_pub_state new_state);
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ZMQ.Socket.send pub_socket @@ string_of_pub_state new_state;
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ZMQ.Socket.send pub_socket @@ string_of_pub_state new_state;
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match state with
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match state with
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| Stopped -> ()
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| Stopped -> ()
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@ -3,13 +3,11 @@
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BEGIN_PROVIDER [ double precision, integral8, (mo_tot_num, mo_tot_num, mo_tot_num, mo_tot_num) ]
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BEGIN_PROVIDER [ double precision, integral8, (mo_tot_num, mo_tot_num, mo_tot_num, mo_tot_num) ]
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integral8 = 0d0
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integral8 = 0d0
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integer :: h1, h2
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integer :: h1, h2
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print *, "provide int"
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do h1=1, mo_tot_num
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do h1=1, mo_tot_num
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do h2=1, mo_tot_num
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do h2=1, mo_tot_num
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call get_mo_bielec_integrals_ij(h1, h2 ,mo_tot_num,integral8(1,1,h1,h2),mo_integrals_map)
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call get_mo_bielec_integrals_ij(h1, h2 ,mo_tot_num,integral8(1,1,h1,h2),mo_integrals_map)
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end do
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end do
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end do
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end do
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print *, "end provide int"
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END_PROVIDER
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END_PROVIDER
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@ -21,7 +19,7 @@ subroutine selection_slaved(thread,iproc)
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integer, intent(in) :: thread, iproc
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integer, intent(in) :: thread, iproc
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integer :: rc, i
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integer :: rc, i
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integer :: worker_id, task_id(100), ctask, ltask
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integer :: worker_id, task_id(1), ctask, ltask
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character*(512) :: task
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character*(512) :: task
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integer(ZMQ_PTR),external :: new_zmq_to_qp_run_socket
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integer(ZMQ_PTR),external :: new_zmq_to_qp_run_socket
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@ -51,7 +49,9 @@ subroutine selection_slaved(thread,iproc)
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do
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do
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call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id(ctask), task)
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call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id(ctask), task)
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done = task_id(ctask) == 0
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done = task_id(ctask) == 0
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if (.not. done) then
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if (done) then
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ctask = ctask - 1
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else
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integer :: i_generator, N
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integer :: i_generator, N
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read (task,*) i_generator, N
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read (task,*) i_generator, N
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if(buf%N == 0) then
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if(buf%N == 0) then
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@ -62,8 +62,6 @@ subroutine selection_slaved(thread,iproc)
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!print *, "psi_selectors_coef ", psi_selectors_coef(N_det_selectors-5:N_det_selectors, 1)
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!print *, "psi_selectors_coef ", psi_selectors_coef(N_det_selectors-5:N_det_selectors, 1)
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!call debug_det(psi_selectors(1,1,N_det_selectors), N_int)
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!call debug_det(psi_selectors(1,1,N_det_selectors), N_int)
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call select_connected(i_generator,ci_electronic_energy,pt2,buf)
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call select_connected(i_generator,ci_electronic_energy,pt2,buf)
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else
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ctask = ctask - 1
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endif
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endif
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if(done .or. ctask == size(task_id)) then
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if(done .or. ctask == size(task_id)) then
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@ -300,7 +298,7 @@ subroutine selection_collector(b, pt2)
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end do
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end do
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done += ntask
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done += ntask
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call CPU_TIME(time)
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call CPU_TIME(time)
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print *, "DONE" , done, time - time0
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! print *, "DONE" , done, time - time0
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end do
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end do
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@ -52,7 +52,7 @@ subroutine run_wf
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do k=1,size(ci_electronic_energy)
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do k=1,size(ci_electronic_energy)
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ci_electronic_energy(k) = energy(k)
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ci_electronic_energy(k) = energy(k)
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enddo
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enddo
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SOFT_TOUCH ci_electronic_energy CI_eigenvectors_s2 CI_eigenvectors
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TOUCH ci_electronic_energy CI_eigenvectors_s2 CI_eigenvectors
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endif
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endif
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call write_double(6,ci_energy,'Energy')
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call write_double(6,ci_energy,'Energy')
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@ -881,7 +881,6 @@ subroutine wait_for_state(state_wait,state)
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print *, 'Timeout reached. Stopping'
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print *, 'Timeout reached. Stopping'
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state = "Stopped"
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state = "Stopped"
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endif
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endif
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print *, '|'//trim(state(1:rc))//'|'//trim(state_wait)//'|'
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end do
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end do
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call end_zmq_sub_socket(zmq_socket_sub)
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call end_zmq_sub_socket(zmq_socket_sub)
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end
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end
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