diff --git a/ocaml/TaskServer.ml b/ocaml/TaskServer.ml index 927ac241..474412c9 100644 --- a/ocaml/TaskServer.ml +++ b/ocaml/TaskServer.ml @@ -61,7 +61,7 @@ let bind_socket ~socket_type ~socket ~address = with | Unix.Unix_error _ -> (Time.pause @@ Time.Span.of_float 1. ; loop (i-1) ) | other_exception -> raise other_exception - in loop 10 + in loop 60 let hostname = lazy ( diff --git a/src/Davidson/davidson_parallel.irp.f b/src/Davidson/davidson_parallel.irp.f index 168cdd08..466b2624 100644 --- a/src/Davidson/davidson_parallel.irp.f +++ b/src/Davidson/davidson_parallel.irp.f @@ -4,12 +4,12 @@ use bitmasks use f77_zmq -subroutine davidson_process(block, N, idx, vt, st) +subroutine davidson_process(blockb, blocke, N, idx, vt, st) implicit none - integer , intent(in) :: block + integer , intent(in) :: blockb, blocke integer , intent(inout) :: N integer , intent(inout) :: idx(dav_size) double precision , intent(inout) :: vt(N_states, dav_size) @@ -22,8 +22,8 @@ subroutine davidson_process(block, N, idx, vt, st) wrotten = .false. - sh = block - + + do sh = blockb, blocke do sh2=1,sh exa = 0 do ni=1,N_int @@ -73,7 +73,8 @@ subroutine davidson_process(block, N, idx, vt, st) enddo enddo enddo - + enddo + N = 0 do i=1, dav_size if(wrotten(i)) then @@ -90,11 +91,11 @@ end subroutine -subroutine davidson_collect(block, N, idx, vt, st , v0, s0) +subroutine davidson_collect(blockb, blocke, N, idx, vt, st , v0, s0) implicit none - integer , intent(in) :: block + integer , intent(in) :: blockb, blocke integer , intent(in) :: N integer , intent(in) :: idx(N) double precision , intent(in) :: vt(N_states, N) @@ -123,16 +124,16 @@ end subroutine -subroutine davidson_add_task(zmq_to_qp_run_socket, block) +subroutine davidson_add_task(zmq_to_qp_run_socket, blockb, blocke) use f77_zmq implicit none integer(ZMQ_PTR) ,intent(in) :: zmq_to_qp_run_socket - integer ,intent(in) :: block + integer ,intent(in) :: blockb, blocke character*(512) :: task - write(task,*) block + write(task,*) blockb, blocke call add_task_to_taskserver(zmq_to_qp_run_socket, task) end subroutine @@ -161,7 +162,7 @@ subroutine davidson_run_slave(thread,iproc) integer, intent(in) :: thread, iproc - integer :: worker_id, task_id, block + integer :: worker_id, task_id, blockb, blocke character*(512) :: task integer(ZMQ_PTR),external :: new_zmq_to_qp_run_socket @@ -203,7 +204,7 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, worker_id) character*(512) :: task - integer :: block + integer :: blockb, blocke integer :: N integer , allocatable :: idx(:) double precision , allocatable :: vt(:,:) @@ -218,35 +219,38 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, worker_id) do call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, task) if(task_id == 0) exit - read (task,*) block + read (task,*) blockb, blocke - call davidson_process(block,N, idx, vt, st) + call davidson_process(blockb, blocke, N, idx, vt, st) ! reverse ? call task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id) - call davidson_push_results(zmq_socket_push, block, N, idx, vt, st, task_id) + call davidson_push_results(zmq_socket_push, blockb, blocke, N, idx, vt, st, task_id) end do end subroutine -subroutine davidson_push_results(zmq_socket_push, block, N, idx, vt, st, task_id) +subroutine davidson_push_results(zmq_socket_push, blockb, blocke, N, idx, vt, st, task_id) use f77_zmq implicit none integer(ZMQ_PTR) ,intent(in) :: zmq_socket_push integer ,intent(in) :: task_id - integer ,intent(in) :: block + integer ,intent(in) :: blockb, blocke integer ,intent(in) :: N integer ,intent(in) :: idx(N) double precision ,intent(in) :: vt(N_states, N) double precision ,intent(in) :: st(N_states, N) integer :: rc - rc = f77_zmq_send( zmq_socket_push, block, 4, ZMQ_SNDMORE) - if(rc /= 4) stop "davidson_push_results failed to push block" + rc = f77_zmq_send( zmq_socket_push, blockb, 4, ZMQ_SNDMORE) + if(rc /= 4) stop "davidson_push_results failed to push blockb" + rc = f77_zmq_send( zmq_socket_push, blocke, 4, ZMQ_SNDMORE) + if(rc /= 4) stop "davidson_push_results failed to push blocke" + rc = f77_zmq_send( zmq_socket_push, N, 4, ZMQ_SNDMORE) if(rc /= 4) stop "davidson_push_results failed to push N" @@ -265,13 +269,13 @@ end subroutine -subroutine davidson_pull_results(zmq_socket_pull, block, N, idx, vt, st, task_id) +subroutine davidson_pull_results(zmq_socket_pull, blockb, blocke, N, idx, vt, st, task_id) use f77_zmq implicit none integer(ZMQ_PTR) ,intent(in) :: zmq_socket_pull integer ,intent(out) :: task_id - integer ,intent(out) :: block + integer ,intent(out) :: blockb, blocke integer ,intent(out) :: N integer ,intent(out) :: idx(dav_size) double precision ,intent(out) :: vt(N_states, dav_size) @@ -279,9 +283,12 @@ subroutine davidson_pull_results(zmq_socket_pull, block, N, idx, vt, st, task_id integer :: rc - rc = f77_zmq_recv( zmq_socket_pull, block, 4, 0) - if(rc /= 4) stop "davidson_push_results failed to pull block" - + rc = f77_zmq_recv( zmq_socket_pull, blockb, 4, 0) + if(rc /= 4) stop "davidson_push_results failed to pull blockb" + + rc = f77_zmq_recv( zmq_socket_pull, blocke, 4, 0) + if(rc /= 4) stop "davidson_push_results failed to pull blocke" + rc = f77_zmq_recv( zmq_socket_pull, N, 4, 0) if(rc /= 4) stop "davidson_push_results failed to pull N" @@ -313,7 +320,7 @@ subroutine davidson_collector(zmq_to_qp_run_socket, zmq_socket_pull , v0, s0) integer :: more, task_id - integer :: block + integer :: blockb, blocke integer :: N integer , allocatable :: idx(:) double precision , allocatable :: vt(:,:) @@ -331,8 +338,8 @@ subroutine davidson_collector(zmq_to_qp_run_socket, zmq_socket_pull , v0, s0) more = 1 do while (more == 1) - call davidson_pull_results(zmq_socket_pull, block, N, idx, vt, st, task_id) - call davidson_collect(block, N, idx, vt, st , v0, s0) + call davidson_pull_results(zmq_socket_pull, blockb, blocke, N, idx, vt, st, task_id) + call davidson_collect(blockb, blocke, N, idx, vt, st , v0, s0) ! done(block) = .true. call zmq_delete_task(zmq_to_qp_run_socket,zmq_socket_pull,task_id,more) deleted += 1 @@ -491,4 +498,4 @@ END_PROVIDER implicit none 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) 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) -END_PROVIDER \ No newline at end of file +END_PROVIDER diff --git a/src/Davidson/u0Hu0.irp.f b/src/Davidson/u0Hu0.irp.f index 8e2ef3f6..1220a9ba 100644 --- a/src/Davidson/u0Hu0.irp.f +++ b/src/Davidson/u0Hu0.irp.f @@ -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) integer :: N_st_8 integer, external :: align_double + integer :: workload, blockb, blocke !!!DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: vt, ut integer(ZMQ_PTR) :: handler @@ -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) dav_det = psi_det dav_ut = ut + workload = 0 + blockb = shortcut(0,1) + blocke = blockb call davidson_init(handler) do sh=shortcut(0,1),1,-1 - call davidson_add_task(handler, sh) + workload += (shortcut(sh+1,1) - shortcut(sh,1))**2 + if(workload > 1000) then + blocke = sh + call davidson_add_task(handler, blocke, blockb) + blockb = sh-1 + workload = 0 + end if enddo + + if(blockb) call davidson_add_task(handler, 1, blockb) call davidson_run(handler, v_0, s_0)