mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-25 13:53:49 +01:00
Anthony Scemama
873035e016
commit 4b9c435dce0f3b3078d573e66fd32b40fca26497 Merge:74e559c8
093e3fd0
Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Tue Sep 4 16:58:51 2018 +0200 Merge branch 'thesis' of git://github.com/garniron/quantum_package into garniron-thesis commit093e3fd021
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 16:13:00 2018 +0200 removed ungodly hack commit8529a0f3f6
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:57:19 2018 +0200 reduced prints in pt2_stoch commit03b8f353bd
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:41:46 2018 +0200 teeth building check for pt2_stoch commit0d91b9310a
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:35:04 2018 +0200 timestamp of first pull commit34d9fa0165
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:27:10 2018 +0200 potential numerical precision bug commit9a0f900d8c
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:09:51 2018 +0200 tests if teeth can be built commitdda0dc34df
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Mon Sep 3 17:48:04 2018 +0200 corrected pt2_find_sample commita521f0cb82
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Mon Sep 3 16:08:02 2018 +0200 tasks get by batches of Nproc commit997a5a1265
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Mon Sep 3 14:18:04 2018 +0200 buffered task_id send commit99ea7948e0
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Mon Sep 3 12:29:12 2018 +0200 unbalanced fragmentation commitabb3b7e08b
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sun Sep 2 17:18:44 2018 +0200 overflow of pt2_J commit8df49f394b
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sun Sep 2 15:58:48 2018 +0200 removed useless computation of intermediate checkpoints commit4ba5b79eb3
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sun Sep 2 15:50:14 2018 +0200 dressing only sent for chosen checkpoint commita4a6a69459
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sat Sep 1 17:01:56 2018 +0200 cumulative dot_F commit6a7f04cb79
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sat Sep 1 16:58:07 2018 +0200 simpler purge commit168ca2f2e2
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 31 21:07:01 2018 +0200 task list optimized commitde4a0d0caf
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 31 18:57:03 2018 +0200 removed print commitfee31d4e3e
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 31 18:56:23 2018 +0200 dress fragmentation commit02893a419d
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 31 15:52:16 2018 +0200 bug in blocked search - replaced with thesis version commitbb6e073cf1
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 21:24:45 2018 +0200 ungodly hack to prevent double providing commit0609e8c627
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 20:52:05 2018 +0200 debugging commita254fdd7cf
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 15:24:07 2018 +0200 parallel bug commit2a6c1941d4
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 11:43:11 2018 +0200 corrected when relative_error=0d0 commitbac039bdf1
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 10:58:17 2018 +0200 relative error 1d-5 commitaae9d203ec
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 10:07:02 2018 +0200 potential fragmentation bug commitad69f39f99
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Wed Aug 29 20:54:58 2018 +0200 dress_zmq re-implemented commitd78f64732a
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Wed Aug 29 11:30:19 2018 +0200 pt2_stoch re-implemented commit4b9b54e19a
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Aug 28 10:24:38 2018 +0200 removed test for phase_mask_bit commit3abccca5e3
Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 3 23:44:05 2018 +0200 phasemask_bit
331 lines
11 KiB
Fortran
331 lines
11 KiB
Fortran
use bitmasks
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subroutine run_dress_slave(thread,iproce,energy)
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use f77_zmq
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use omp_lib
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implicit none
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double precision, intent(in) :: energy(N_states_diag)
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integer, intent(in) :: thread, iproce
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integer :: rc, i, subset, i_generator
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integer :: worker_id, ctask, ltask
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character*(512) :: task(Nproc)
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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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integer(ZMQ_PTR), external :: new_zmq_push_socket
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integer(ZMQ_PTR) :: zmq_socket_push
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double precision,allocatable :: breve_delta_m(:,:,:)
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integer :: i_state,m,l,t,p,sum_f
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!integer, external :: omp_get_thread_num
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double precision, allocatable :: delta_det(:,:,:,:), cp(:,:,:,:), edI(:)
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double precision, allocatable :: edI_task(:)
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integer, allocatable :: edI_index(:), edI_taskID(:)
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integer :: n_tasks
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integer :: iproc
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integer, allocatable :: f(:)
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integer :: cp_sent, cp_done
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integer :: cp_max(Nproc)
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integer :: will_send, task_id, purge_task_id, ntask_buf
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integer, allocatable :: task_buf(:)
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integer(kind=OMP_LOCK_KIND) :: lck_det(0:pt2_N_teeth+1)
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integer(kind=OMP_LOCK_KIND) :: lck_sto(0:dress_N_cp+1), sending, getting_task
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double precision :: fac
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double precision :: ending(1)
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integer, external :: zmq_get_dvector
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! double precision, external :: omp_get_wtime
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double precision :: time, time0
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integer :: ntask_tbd, task_tbd(Nproc), i_gen_tbd(Nproc), subset_tbd(Nproc)
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if(iproce /= 0) stop "RUN DRESS SLAVE is OMP"
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allocate(delta_det(N_states, N_det, 0:pt2_N_teeth+1, 2))
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allocate(cp(N_states, N_det, dress_N_cp, 2))
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allocate(edI(N_det_generators), f(N_det_generators))
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allocate(edI_index(N_det_generators), edI_task(N_det_generators))
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edI = 0d0
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f = 0
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delta_det = 0d0
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task = CHAR(0)
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call omp_init_lock(sending)
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call omp_init_lock(getting_task)
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do i=0,dress_N_cp+1
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call omp_init_lock(lck_sto(i))
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end do
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do i=0,pt2_N_teeth+1
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call omp_init_lock(lck_det(i))
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end do
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cp_done = 0
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cp_sent = 0
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will_send = 0
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double precision :: hij, sij, tmp
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purge_task_id = 0
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provide psi_energy
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ending(1) = dble(dress_N_cp+1)
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ntask_tbd = 0
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!$OMP PARALLEL DEFAULT(SHARED) &
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!$OMP PRIVATE(breve_delta_m, task_id) &
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!$OMP PRIVATE(tmp,fac,m,l,t,sum_f,n_tasks) &
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!$OMP PRIVATE(i,p,will_send, i_generator, subset, iproc) &
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!$OMP PRIVATE(zmq_to_qp_run_socket, zmq_socket_push, worker_id) &
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!$OMP PRIVATE(task_buf, ntask_buf,time, time0)
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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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if(worker_id == -1) then
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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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call end_zmq_push_socket(zmq_socket_push,thread)
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stop "WORKER -1"
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end if
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iproc = omp_get_thread_num()+1
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allocate(breve_delta_m(N_states,N_det,2))
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allocate(task_buf(pt2_n_tasks_max))
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ntask_buf = 0
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if(iproc==1) then
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call push_dress_results(zmq_socket_push, 0, 0, edI_task, edI_index, breve_delta_m, task_buf, ntask_buf)
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end if
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do while(cp_done > cp_sent .or. m /= dress_N_cp+1)
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call omp_set_lock(getting_task)
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if(ntask_tbd == 0) then
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ntask_tbd = size(task_tbd)
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call get_tasks_from_taskserver(zmq_to_qp_run_socket,worker_id, task_tbd, task, ntask_tbd)
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!task = task//" 0"
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end if
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task_id = task_tbd(1)
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if(task_id /= 0) then
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read (task(1),*) subset, i_generator
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do i=1,size(task_tbd)-1
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task_tbd(i) = task_tbd(i+1)
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task(i) = task(i+1)
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end do
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m = dress_P(i_generator)
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ntask_tbd -= 1
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else
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m = dress_N_cp + 1
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i= zmq_get_dvector(zmq_to_qp_run_socket, worker_id, "ending", ending, 1)
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end if
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call omp_unset_lock(getting_task)
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will_send = 0
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!$OMP CRITICAL
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cp_max(iproc) = m
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cp_done = minval(cp_max)-1
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if(cp_done > cp_sent) then
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will_send = cp_sent + 1
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cp_sent = will_send
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end if
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if(purge_task_id == 0) then
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purge_task_id = task_id
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task_id = 0
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else if(task_id /= 0) then
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ntask_buf += 1
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task_buf(ntask_buf) = task_id
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end if
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!$OMP END CRITICAL
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if(will_send /= 0 .and. will_send <= int(ending(1))) then
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call omp_set_lock(sending)
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n_tasks = 0
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sum_f = 0
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do i=1,N_det_generators
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if(dress_P(i) <= will_send) sum_f = sum_f + f(i)
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if(dress_P(i) == will_send .and. f(i) /= 0) then
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n_tasks += 1
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edI_task(n_tasks) = edI(i)
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edI_index(n_tasks) = i
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end if
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end do
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call push_dress_results(zmq_socket_push, will_send, sum_f, edI_task, edI_index, breve_delta_m, 0, n_tasks)
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call omp_unset_lock(sending)
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end if
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if(m /= dress_N_cp+1) then
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!UPDATE i_generator
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breve_delta_m(:,:,:) = 0d0
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call generator_start(i_generator, iproc)
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time0 = omp_get_wtime()
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call alpha_callback(breve_delta_m, i_generator, subset, pt2_F(i_generator), iproc)
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time = omp_get_wtime()
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!print '(I0.11, I4, A12, F12.3)', i_generator, subset, "GREPMETIME", time-time0
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t = dress_T(i_generator)
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call omp_set_lock(lck_det(t))
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delta_det(:,:,t, 1) += breve_delta_m(:,:,1)
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delta_det(:,:,t, 2) += breve_delta_m(:,:,2)
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call omp_unset_lock(lck_det(t))
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do p=1,dress_N_cp
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if(dress_e(i_generator, p) /= 0d0) then
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fac = dress_e(i_generator, p)
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call omp_set_lock(lck_sto(p))
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cp(:,:,p,1) += breve_delta_m(:,:,1) * fac
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cp(:,:,p,2) += breve_delta_m(:,:,2) * fac
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call omp_unset_lock(lck_sto(p))
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end if
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end do
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tmp = 0d0
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do i=N_det,1,-1
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tmp += psi_coef(i, dress_stoch_istate)*breve_delta_m(dress_stoch_istate, i, 1)
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end do
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!$OMP ATOMIC
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edI(i_generator) += tmp
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!$OMP ATOMIC
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f(i_generator) += 1
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!push bidon
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if(ntask_buf == size(task_buf)) then
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call push_dress_results(zmq_socket_push, 0, 0, edI_task, edI_index, breve_delta_m, task_buf, ntask_buf)
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ntask_buf = 0
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end if
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end if
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end do
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!$OMP BARRIER
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if(ntask_buf /= 0) then
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call push_dress_results(zmq_socket_push, 0, 0, edI_task, edI_index, breve_delta_m, task_buf, ntask_buf)
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ntask_buf = 0
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end if
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!$OMP SINGLE
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if(purge_task_id /= 0) then
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do while(int(ending(1)) == dress_N_cp+1)
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call sleep(1)
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i= zmq_get_dvector(zmq_to_qp_run_socket, worker_id, "ending", ending, 1)
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end do
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will_send = int(ending(1))
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breve_delta_m = 0d0
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do l=will_send, 1,-1
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breve_delta_m(:,:,1) += cp(:,:,l,1)
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breve_delta_m(:,:,2) += cp(:,:,l,2)
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end do
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breve_delta_m(:,:,:) = breve_delta_m(:,:,:) / dress_M_m(will_send)
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do t=dress_dot_t(will_send)-1,0,-1
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breve_delta_m(:,:,1) = breve_delta_m(:,:,1) + delta_det(:,:,t,1)
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breve_delta_m(:,:,2) = breve_delta_m(:,:,2) + delta_det(:,:,t,2)
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end do
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sum_f = 0
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do i=1,N_det_generators
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if(dress_P(i) <= will_send) sum_f = sum_f + f(i)
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end do
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call push_dress_results(zmq_socket_push, -will_send, sum_f, edI_task, edI_index, breve_delta_m, purge_task_id, 1)
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end if
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!$OMP END SINGLE
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call disconnect_from_taskserver(zmq_to_qp_run_socket,worker_id)
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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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call end_zmq_push_socket(zmq_socket_push,thread)
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!$OMP END PARALLEL
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do i=0,dress_N_cp+1
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call omp_destroy_lock(lck_sto(i))
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end do
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do i=0,pt2_N_teeth+1
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call omp_destroy_lock(lck_det(i))
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end do
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end subroutine
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subroutine push_dress_results(zmq_socket_push, m_task, f, edI_task, edI_index, breve_delta_m, task_id, n_tasks)
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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) :: m_task, f, edI_index(n_tasks)
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double precision, intent(in) :: breve_delta_m(N_states, N_det, 2), edI_task(n_tasks)
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integer, intent(in) :: task_id(pt2_n_tasks_max), n_tasks
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integer :: rc, i, j, k
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rc = f77_zmq_send( zmq_socket_push, m_task, 4, ZMQ_SNDMORE)
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if(rc /= 4) stop "push3"
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if(m_task > 0) then
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rc = f77_zmq_send( zmq_socket_push, n_tasks, 4, ZMQ_SNDMORE)
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if(rc /= 4) stop "push1"
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rc = f77_zmq_send( zmq_socket_push, f, 4, ZMQ_SNDMORE)
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if(rc /= 4) stop "push4"
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rc = f77_zmq_send( zmq_socket_push, edI_task, 8*n_tasks, ZMQ_SNDMORE)
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if(rc /= 8*n_tasks) stop "push5"
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rc = f77_zmq_send( zmq_socket_push, edI_index, 4*n_tasks, 0)
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if(rc /= 4*n_tasks) stop "push6"
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else if(m_task == 0) then
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rc = f77_zmq_send( zmq_socket_push, n_tasks, 4, ZMQ_SNDMORE)
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if(rc /= 4) stop "push1"
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rc = f77_zmq_send( zmq_socket_push, task_id, 4*n_tasks, 0)
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if(rc /= 4*n_tasks) stop "push2"
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else
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rc = f77_zmq_send( zmq_socket_push, f, 4, ZMQ_SNDMORE)
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if(rc /= 4) stop "push4"
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rc = f77_zmq_send( zmq_socket_push, breve_delta_m, 8*N_det*N_states*2, ZMQ_SNDMORE)
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if(rc /= 8*N_det*N_states*2) stop "push6"
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rc = f77_zmq_send( zmq_socket_push, task_id, 4, 0)
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if(rc /= 4) stop "push6"
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end if
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! Activate is zmq_socket_pull is a REP
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IRP_IF ZMQ_PUSH
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IRP_ELSE
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character*(2) :: ok
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rc = f77_zmq_recv( zmq_socket_push, ok, 2, 0)
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IRP_ENDIF
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end subroutine
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subroutine pull_dress_results(zmq_socket_pull, m_task, f, edI_task, edI_index, breve_delta_m, task_id, n_tasks)
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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) :: m_task, f, edI_index(N_det_generators)
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double precision, intent(out) :: breve_delta_m(N_states, N_det, 2), edI_task(N_det_generators)
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integer, intent(out) :: task_id(pt2_n_tasks_max), n_tasks
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integer :: rc, i, j, k
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rc = f77_zmq_recv( zmq_socket_pull, m_task, 4, 0)
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if(rc /= 4) stop "pullc"
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if(m_task > 0) then
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rc = f77_zmq_recv( zmq_socket_pull, n_tasks, 4, 0)
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if(rc /= 4) stop "pullc"
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rc = f77_zmq_recv( zmq_socket_pull, f, 4, 0)
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if(rc /= 4) stop "pullc"
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rc = f77_zmq_recv( zmq_socket_pull, edI_task, 8*n_tasks, 0)
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if(rc /= 8*n_tasks) stop "pullc"
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rc = f77_zmq_recv( zmq_socket_pull, edI_index, 4*n_tasks, 0)
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if(rc /= 4*n_tasks) stop "pullc"
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else if(m_task==0) then
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rc = f77_zmq_recv( zmq_socket_pull, n_tasks, 4, 0)
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if(rc /= 4) stop "pullc"
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rc = f77_zmq_recv( zmq_socket_pull, task_id, 4*n_tasks, 0)
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if(rc /= 4*n_tasks) stop "pull4"
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else
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rc = f77_zmq_recv( zmq_socket_pull, f, 4, 0)
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if(rc /= 4) stop "pullc"
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rc = f77_zmq_recv( zmq_socket_pull, breve_delta_m, 8*N_det*N_states*2, 0)
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if(rc /= 8*N_det*N_states*2) stop "pullc"
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rc = f77_zmq_recv( zmq_socket_pull, task_id, 4, 0)
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if(rc /= 4) stop "pull4"
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end if
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! Activate is zmq_socket_pull is a REP
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IRP_IF ZMQ_PUSH
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IRP_ELSE
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rc = f77_zmq_send( zmq_socket_pull, 'ok', 2, 0)
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IRP_ENDIF
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end subroutine
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