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https://github.com/LCPQ/quantum_package
synced 2024-11-13 17:43:55 +01:00
Fixed stoch
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8da52b8f59
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@ -63,40 +63,52 @@ subroutine ZMQ_pt2(pt2,relative_error)
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integer(ZMQ_PTR), external :: new_zmq_to_qp_run_socket
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integer :: ipos
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logical :: tasks
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tasks = .False.
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ipos=1
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do i=1,tbc(0)
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if(tbc(i) > fragment_first) then
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write(task(ipos:ipos+20),'(I9,X,I9,''|'')') 0, i
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write(task(ipos:ipos+20),'(I9,X,I9,''|'')') 0, tbc(i)
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ipos += 20
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if (ipos > 64000) then
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call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos-20)))
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ipos=1
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tasks = .True.
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endif
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else
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do j=1,fragment_count
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write(task(ipos:ipos+20),'(I9,X,I9,''|'')') j, i
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write(task(ipos:ipos+20),'(I9,X,I9,''|'')') j, tbc(i)
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ipos += 20
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if (ipos > 64000) then
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call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos-20)))
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ipos=1
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tasks = .True.
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endif
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end do
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end if
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end do
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if (ipos > 1) then
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call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos-20)))
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tasks = .True.
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endif
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call zmq_set_running(zmq_to_qp_run_socket)
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!$OMP PARALLEL DEFAULT(shared) NUM_THREADS(nproc+1) &
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!$OMP PRIVATE(i)
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i = omp_get_thread_num()
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if (i==0) then
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call pt2_collector(b, tbc, comb, Ncomb, computed, pt2_detail, sumabove, sum2above, Nabove, relative_error, pt2)
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else
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call pt2_slave_inproc(i)
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endif
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!$OMP END PARALLEL
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if (tasks) then
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call zmq_set_running(zmq_to_qp_run_socket)
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!$OMP PARALLEL DEFAULT(shared) NUM_THREADS(nproc+1) &
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!$OMP PRIVATE(i)
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i = omp_get_thread_num()
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if (i==0) then
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call pt2_collector(b, tbc, comb, Ncomb, computed, pt2_detail, sumabove, sum2above, Nabove, relative_error, pt2)
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else
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call pt2_slave_inproc(i)
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endif
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!$OMP END PARALLEL
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else
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pt2(1) = sum(pt2_detail(1,:))
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endif
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call end_parallel_job(zmq_to_qp_run_socket, 'pt2')
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tbc(0) = 0
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@ -105,6 +117,7 @@ subroutine ZMQ_pt2(pt2,relative_error)
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endif
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end do
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end subroutine
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@ -160,7 +173,7 @@ subroutine pt2_collector(b, tbc, comb, Ncomb, computed, pt2_detail, sumabove, su
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type(selection_buffer), intent(inout) :: b
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double precision :: pt2_mwen(N_states, N_det_generators)
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double precision, allocatable :: pt2_mwen(:,:)
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integer(ZMQ_PTR),external :: new_zmq_to_qp_run_socket
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integer(ZMQ_PTR) :: zmq_to_qp_run_socket
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@ -181,7 +194,8 @@ subroutine pt2_collector(b, tbc, comb, Ncomb, computed, pt2_detail, sumabove, su
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integer, allocatable :: parts_to_get(:)
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logical, allocatable :: actually_computed(:)
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allocate(actually_computed(N_det_generators), parts_to_get(N_det_generators))
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allocate(actually_computed(N_det_generators), parts_to_get(N_det_generators), &
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pt2_mwen(N_states, N_det_generators) )
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actually_computed(:) = computed(:)
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parts_to_get(:) = 1
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@ -198,7 +212,7 @@ subroutine pt2_collector(b, tbc, comb, Ncomb, computed, pt2_detail, sumabove, su
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zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
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zmq_socket_pull = new_zmq_pull_socket()
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allocate(val(b%N), det(N_int, 2, b%N), task_id(N_det_generators), index(N_det_generators))
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allocate(val(b%N), det(N_int, 2, b%N), task_id(N_det_generators), index(1))
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more = 1
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if (time0 < 0.d0) then
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time0 = omp_get_wtime()
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@ -22,10 +22,10 @@ subroutine run_pt2_slave(thread,iproc,energy)
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double precision :: pt2(N_states)
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double precision,allocatable :: pt2_detail(:,:)
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integer,allocatable :: index(:)
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integer :: index
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integer :: Nindex
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allocate(pt2_detail(N_states, N_det), index(N_det))
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allocate(pt2_detail(N_states, N_det))
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zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
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zmq_socket_push = new_zmq_push_socket(thread)
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call connect_to_taskserver(zmq_to_qp_run_socket,worker_id,thread)
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@ -37,9 +37,9 @@ subroutine run_pt2_slave(thread,iproc,energy)
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end if
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buf%N = 0
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ctask = 1
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Nindex=1
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pt2 = 0d0
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pt2_detail = 0d0
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Nindex=1
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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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@ -48,8 +48,7 @@ subroutine run_pt2_slave(thread,iproc,energy)
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ctask = ctask - 1
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else
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integer :: i_generator, i_i_generator, N, subset
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read (task,*) Nindex
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read (task,*) Nindex, subset, index(:Nindex)
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read (task,*) subset, index
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!!!!!
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N=1
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@ -62,7 +61,7 @@ subroutine run_pt2_slave(thread,iproc,energy)
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if(N /= buf%N) stop "N changed... wtf man??"
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end if
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do i_i_generator=1, Nindex
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i_generator = index(i_i_generator)
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i_generator = index
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call select_connected(i_generator,energy,pt2_detail(1, i_i_generator),buf,subset)
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pt2(:) += pt2_detail(:, i_generator)
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enddo
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@ -75,7 +74,6 @@ subroutine run_pt2_slave(thread,iproc,energy)
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end do
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if(ctask > 0) then
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call push_pt2_results(zmq_socket_push, Nindex, index, pt2_detail, task_id(1), ctask)
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!print *, "pushed ", index(:Nindex)
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do i=1,buf%cur
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call add_to_selection_buffer(buf2, buf%det(1,1,i), buf%val(i))
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enddo
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@ -104,14 +102,14 @@ subroutine push_pt2_results(zmq_socket_push, N, index, pt2_detail, task_id, ntas
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integer(ZMQ_PTR), intent(in) :: zmq_socket_push
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double precision, intent(in) :: pt2_detail(N_states, N_det)
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integer, intent(in) :: ntask, N, index(N), task_id(*)
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integer, intent(in) :: ntask, N, index, task_id(*)
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integer :: rc
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rc = f77_zmq_send( zmq_socket_push, N, 4, ZMQ_SNDMORE)
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if(rc /= 4) stop "push"
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rc = f77_zmq_send( zmq_socket_push, index, 4*N, ZMQ_SNDMORE)
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rc = f77_zmq_send( zmq_socket_push, index, 4, ZMQ_SNDMORE)
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if(rc /= 4*N) stop "push"
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@ -121,7 +119,7 @@ subroutine push_pt2_results(zmq_socket_push, N, index, pt2_detail, task_id, ntas
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rc = f77_zmq_send( zmq_socket_push, ntask, 4, ZMQ_SNDMORE)
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if(rc /= 4) stop "push"
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rc = f77_zmq_send( zmq_socket_push, task_id(1), ntask*4, 0)
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rc = f77_zmq_send( zmq_socket_push, task_id, ntask*4, 0)
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if(rc /= 4*ntask) stop "push"
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! Activate is zmq_socket_push is a REQ
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@ -136,14 +134,14 @@ subroutine pull_pt2_results(zmq_socket_pull, N, index, pt2_detail, task_id, ntas
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implicit none
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integer(ZMQ_PTR), intent(in) :: zmq_socket_pull
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double precision, intent(inout) :: pt2_detail(N_states, N_det)
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integer, intent(out) :: index(N_det)
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integer, intent(out) :: index
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integer, intent(out) :: N, ntask, task_id(*)
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integer :: rc, rn, i
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rc = f77_zmq_recv( zmq_socket_pull, N, 4, 0)
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if(rc /= 4) stop "pull"
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rc = f77_zmq_recv( zmq_socket_pull, index, 4*N, 0)
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rc = f77_zmq_recv( zmq_socket_pull, index, 4, 0)
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if(rc /= 4*N) stop "pull"
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rc = f77_zmq_recv( zmq_socket_pull, pt2_detail, N_states*8*N, 0)
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