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https://github.com/LCPQ/quantum_package
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Adjust ntasks with time
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c8ee603667
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@ -46,13 +46,14 @@ subroutine run_pt2_slave(thread,iproc,energy)
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zmq_socket_push = new_zmq_push_socket(thread)
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buf%N = 0
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n_tasks = 0
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n_tasks = 1
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call create_selection_buffer(0, 0, buf)
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done = .False.
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do while (.not.done)
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n_tasks = min(n_tasks+1,n_tasks_max)
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n_tasks = max(1,n_tasks)
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n_tasks = min(n_tasks,n_tasks_max)
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integer, external :: get_tasks_from_taskserver
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if (get_tasks_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, task, n_tasks) == -1) then
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@ -66,16 +67,23 @@ subroutine run_pt2_slave(thread,iproc,energy)
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read (task(k),*) subset(k), i_generator(k)
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enddo
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double precision :: time0, time1
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call wall_time(time0)
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do k=1,n_tasks
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pt2(:,k) = 0.d0
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buf%cur = 0
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call select_connected(i_generator(k),energy,pt2(1,k),buf,subset(k))
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enddo
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call wall_time(time1)
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integer, external :: tasks_done_to_taskserver
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if (tasks_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id,n_tasks) == -1) then
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done = .true.
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endif
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call push_pt2_results(zmq_socket_push, i_generator, pt2, task_id, n_tasks)
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! Try to adjust n_tasks around 10 seconds per job
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n_tasks = int(10.d0 * dble(n_tasks) / (time1 - time0 + 1.d-9))+1
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end do
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integer, external :: disconnect_from_taskserver
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@ -50,12 +50,13 @@ subroutine run_selection_slave_new(thread,iproc,energy)
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zmq_socket_push = new_zmq_push_socket(thread)
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buf%N = 0
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n_tasks = 0
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n_tasks = 1
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call create_selection_buffer(0, 0, buf)
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done = .False.
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do while (.not.done)
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n_tasks = min(n_tasks+1,n_tasks_max)
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n_tasks = max(1,n_tasks)
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n_tasks = min(n_tasks,n_tasks_max)
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integer, external :: get_tasks_from_taskserver
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if (get_tasks_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, task, n_tasks) == -1) then
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@ -76,11 +77,15 @@ subroutine run_selection_slave_new(thread,iproc,energy)
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buffer_ready = .True.
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endif
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double precision :: time0, time1
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call wall_time(time0)
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do k=1,n_tasks
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pt2(:,k) = 0.d0
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buf%cur = 0
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call select_connected(i_generator(k),energy,pt2(1,k),buf,subset(k))
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enddo
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call wall_time(time1)
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integer, external :: tasks_done_to_taskserver
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if (tasks_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id,n_tasks) == -1) then
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done = .true.
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@ -91,6 +96,9 @@ subroutine run_selection_slave_new(thread,iproc,energy)
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buf%mini = buf2%mini
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pt2(:,:) = 0d0
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buf%cur = 0
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! Try to adjust n_tasks around 10 seconds per job
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n_tasks = int(10.d0 * dble(n_tasks) / (time1 - time0 + 1.d-9))+1
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end do
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integer, external :: disconnect_from_taskserver
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@ -72,7 +72,7 @@ subroutine davidson_diag_hs2(dets_in,u_in,s2_out,dim_in,energies,sze,N_st,N_st_d
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call davidson_diag_hjj_sjj(dets_in,u_in,H_jj,S2_out,energies,dim_in,sze,N_st,N_st_diag,Nint,dressing_state,converged)
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N_st_diag_local = N_st_diag
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do while (.not.converged)
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N_st_diag_local += N_states
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N_st_diag_local = 2 * N_st_diag_local
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allocate (energies_local(N_st_diag_local), s2_out_local(N_st_diag_local), u_in_local(sze,N_st_diag_local))
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u_in_local(1:sze,1:N_st_diag) = u_in(1:sze,1:N_st_diag)
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call davidson_diag_hjj_sjj(dets_in,u_in_local,H_jj,s2_out_local,energies_local,dim_in,sze,N_st,N_st_diag_local,Nint,dressing_state,converged)
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@ -237,7 +237,7 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,s2_out,energies,dim_in,sze,N_
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do while (.not.converged)
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itertot = itertot+1
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if (itertot == 5) then
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if (itertot == 8) then
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exit
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endif
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