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https://github.com/LCPQ/quantum_package
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a davidson task is a range of blocks
This commit is contained in:
Yann Garniron
parent
7cc21bc38d
commit
1afee06817
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@ -61,7 +61,7 @@ let bind_socket ~socket_type ~socket ~address =
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with
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| Unix.Unix_error _ -> (Time.pause @@ Time.Span.of_float 1. ; loop (i-1) )
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| other_exception -> raise other_exception
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in loop 10
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in loop 60
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let hostname = lazy (
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@ -4,12 +4,12 @@
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use bitmasks
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use f77_zmq
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subroutine davidson_process(block, N, idx, vt, st)
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subroutine davidson_process(blockb, blocke, N, idx, vt, st)
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implicit none
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integer , intent(in) :: block
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integer , intent(in) :: blockb, blocke
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integer , intent(inout) :: N
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integer , intent(inout) :: idx(dav_size)
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double precision , intent(inout) :: vt(N_states, dav_size)
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@ -22,8 +22,8 @@ subroutine davidson_process(block, N, idx, vt, st)
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wrotten = .false.
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sh = block
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do sh = blockb, blocke
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do sh2=1,sh
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exa = 0
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do ni=1,N_int
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@ -73,7 +73,8 @@ subroutine davidson_process(block, N, idx, vt, st)
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enddo
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enddo
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enddo
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enddo
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N = 0
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do i=1, dav_size
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if(wrotten(i)) then
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@ -90,11 +91,11 @@ end subroutine
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subroutine davidson_collect(block, N, idx, vt, st , v0, s0)
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subroutine davidson_collect(blockb, blocke, N, idx, vt, st , v0, s0)
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implicit none
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integer , intent(in) :: block
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integer , intent(in) :: blockb, blocke
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integer , intent(in) :: N
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integer , intent(in) :: idx(N)
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double precision , intent(in) :: vt(N_states, N)
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@ -123,16 +124,16 @@ end subroutine
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subroutine davidson_add_task(zmq_to_qp_run_socket, block)
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subroutine davidson_add_task(zmq_to_qp_run_socket, blockb, blocke)
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use f77_zmq
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implicit none
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integer(ZMQ_PTR) ,intent(in) :: zmq_to_qp_run_socket
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integer ,intent(in) :: block
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integer ,intent(in) :: blockb, blocke
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character*(512) :: task
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write(task,*) block
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write(task,*) blockb, blocke
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call add_task_to_taskserver(zmq_to_qp_run_socket, task)
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end subroutine
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@ -161,7 +162,7 @@ subroutine davidson_run_slave(thread,iproc)
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integer, intent(in) :: thread, iproc
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integer :: worker_id, task_id, block
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integer :: worker_id, task_id, blockb, blocke
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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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@ -203,7 +204,7 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, worker_id)
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character*(512) :: task
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integer :: block
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integer :: blockb, blocke
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integer :: N
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integer , allocatable :: idx(:)
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double precision , allocatable :: vt(:,:)
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@ -218,35 +219,38 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, worker_id)
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do
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call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, task)
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if(task_id == 0) exit
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read (task,*) block
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read (task,*) blockb, blocke
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call davidson_process(block,N, idx, vt, st)
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call davidson_process(blockb, blocke, N, idx, vt, st)
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! reverse ?
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call task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id)
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call davidson_push_results(zmq_socket_push, block, N, idx, vt, st, task_id)
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call davidson_push_results(zmq_socket_push, blockb, blocke, N, idx, vt, st, task_id)
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end do
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end subroutine
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subroutine davidson_push_results(zmq_socket_push, block, N, idx, vt, st, task_id)
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subroutine davidson_push_results(zmq_socket_push, blockb, blocke, N, idx, vt, st, task_id)
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use f77_zmq
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implicit none
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integer(ZMQ_PTR) ,intent(in) :: zmq_socket_push
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integer ,intent(in) :: task_id
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integer ,intent(in) :: block
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integer ,intent(in) :: blockb, blocke
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integer ,intent(in) :: N
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integer ,intent(in) :: idx(N)
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double precision ,intent(in) :: vt(N_states, N)
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double precision ,intent(in) :: st(N_states, N)
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integer :: rc
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rc = f77_zmq_send( zmq_socket_push, block, 4, ZMQ_SNDMORE)
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if(rc /= 4) stop "davidson_push_results failed to push block"
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rc = f77_zmq_send( zmq_socket_push, blockb, 4, ZMQ_SNDMORE)
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if(rc /= 4) stop "davidson_push_results failed to push blockb"
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rc = f77_zmq_send( zmq_socket_push, blocke, 4, ZMQ_SNDMORE)
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if(rc /= 4) stop "davidson_push_results failed to push blocke"
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rc = f77_zmq_send( zmq_socket_push, N, 4, ZMQ_SNDMORE)
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if(rc /= 4) stop "davidson_push_results failed to push N"
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@ -265,13 +269,13 @@ end subroutine
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subroutine davidson_pull_results(zmq_socket_pull, block, N, idx, vt, st, task_id)
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subroutine davidson_pull_results(zmq_socket_pull, blockb, blocke, N, idx, vt, st, task_id)
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use f77_zmq
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implicit none
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integer(ZMQ_PTR) ,intent(in) :: zmq_socket_pull
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integer ,intent(out) :: task_id
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integer ,intent(out) :: block
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integer ,intent(out) :: blockb, blocke
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integer ,intent(out) :: N
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integer ,intent(out) :: idx(dav_size)
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double precision ,intent(out) :: vt(N_states, dav_size)
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@ -279,9 +283,12 @@ subroutine davidson_pull_results(zmq_socket_pull, block, N, idx, vt, st, task_id
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integer :: rc
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rc = f77_zmq_recv( zmq_socket_pull, block, 4, 0)
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if(rc /= 4) stop "davidson_push_results failed to pull block"
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rc = f77_zmq_recv( zmq_socket_pull, blockb, 4, 0)
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if(rc /= 4) stop "davidson_push_results failed to pull blockb"
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rc = f77_zmq_recv( zmq_socket_pull, blocke, 4, 0)
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if(rc /= 4) stop "davidson_push_results failed to pull blocke"
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rc = f77_zmq_recv( zmq_socket_pull, N, 4, 0)
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if(rc /= 4) stop "davidson_push_results failed to pull N"
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@ -313,7 +320,7 @@ subroutine davidson_collector(zmq_to_qp_run_socket, zmq_socket_pull , v0, s0)
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integer :: more, task_id
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integer :: block
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integer :: blockb, blocke
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integer :: N
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integer , allocatable :: idx(:)
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double precision , allocatable :: vt(:,:)
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@ -331,8 +338,8 @@ subroutine davidson_collector(zmq_to_qp_run_socket, zmq_socket_pull , v0, s0)
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more = 1
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do while (more == 1)
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call davidson_pull_results(zmq_socket_pull, block, N, idx, vt, st, task_id)
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call davidson_collect(block, N, idx, vt, st , v0, s0)
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call davidson_pull_results(zmq_socket_pull, blockb, blocke, N, idx, vt, st, task_id)
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call davidson_collect(blockb, blocke, N, idx, vt, st , v0, s0)
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! done(block) = .true.
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call zmq_delete_task(zmq_to_qp_run_socket,zmq_socket_pull,task_id,more)
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deleted += 1
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@ -491,4 +498,4 @@ END_PROVIDER
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implicit none
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call sort_dets_ab_v(dav_det, sorted_(1,1,1), sort_idx_(1,1), shortcut_(0,1), version_(1,1,1), dav_size, N_int)
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call sort_dets_ba_v(dav_det, sorted_(1,1,2), sort_idx_(1,2), shortcut_(0,2), version_(1,1,2), dav_size, N_int)
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END_PROVIDER
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END_PROVIDER
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@ -209,6 +209,7 @@ subroutine H_S2_u_0_nstates(v_0,s_0,u_0,H_jj,S2_jj,n,keys_tmp,Nint,N_st,sze_8)
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integer :: N_st_8
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integer, external :: align_double
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integer :: workload, blockb, blocke
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!!!DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: vt, ut
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integer(ZMQ_PTR) :: handler
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@ -242,10 +243,21 @@ subroutine H_S2_u_0_nstates(v_0,s_0,u_0,H_jj,S2_jj,n,keys_tmp,Nint,N_st,sze_8)
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dav_det = psi_det
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dav_ut = ut
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workload = 0
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blockb = shortcut(0,1)
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blocke = blockb
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call davidson_init(handler)
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do sh=shortcut(0,1),1,-1
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call davidson_add_task(handler, sh)
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workload += (shortcut(sh+1,1) - shortcut(sh,1))**2
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if(workload > 1000) then
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blocke = sh
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call davidson_add_task(handler, blocke, blockb)
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blockb = sh-1
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workload = 0
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end if
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enddo
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if(blockb) call davidson_add_task(handler, 1, blockb)
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call davidson_run(handler, v_0, s_0)
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