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Added initiator tasks

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This commit is contained in:
Anthony Scemama 2018-10-12 12:15:37 +02:00
parent d717a9c138
commit 74858cb943
2 changed files with 87 additions and 3 deletions
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48
plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
View File

@ -166,11 +166,14 @@ subroutine ZMQ_pt2(E, pt2,relative_error, error)
ipos += 1
endif
enddo
call write_int(6,sum(pt2_F),'Number of tasks')
call write_int(6,ipos,'Number of fragmented tasks')
! Initiate tasks
pt2_n_tasks = pt2_n_tasks_init
TOUCH pt2_n_tasks
ipos=1
do i= 1, N_det_generators
do i= 1, pt2_n_tasks_init
do j=1,pt2_F(pt2_J(i))
write(task(ipos:ipos+20),'(I9,1X,I9,''|'')') j, pt2_J(i)
ipos += 20
@ -194,6 +197,29 @@ subroutine ZMQ_pt2(E, pt2,relative_error, error)
endif
! Run remaining tasks
pt2_n_tasks = N_det_generators
TOUCH pt2_n_tasks
ipos=1
do i= pt2_n_tasks_init+1, N_det_generators
do j=1,pt2_F(pt2_J(i))
write(task(ipos:ipos+20),'(I9,1X,I9,''|'')') j, pt2_J(i)
ipos += 20
if (ipos > 100000-20) then
if (add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos))) == -1) then
stop 'Unable to add task to task server'
endif
ipos=1
endif
end do
enddo
if (ipos > 1) then
if (add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos))) == -1) then
stop 'Unable to add task to task server'
endif
endif
integer :: nproc_target
nproc_target = nproc
double precision :: mem
@ -394,6 +420,22 @@ integer function pt2_find_sample(v, w)
end function
BEGIN_PROVIDER [ integer, pt2_n_tasks_init ]
implicit none
BEGIN_DOC
! Number of parallel tasks to initiate the parallel run
END_DOC
pt2_n_tasks_init = min(5000,N_det_generators)
END_PROVIDER
BEGIN_PROVIDER [ integer, pt2_n_tasks ]
implicit none
BEGIN_DOC
! Current number of parallel tasks
END_DOC
pt2_n_tasks = pt2_n_tasks_init
END_PROVIDER
BEGIN_PROVIDER[ integer, pt2_J, (N_det_generators)]
&BEGIN_PROVIDER[ double precision, pt2_u, (N_det_generators)]
&BEGIN_PROVIDER[ integer, pt2_R, (N_det_generators)]
@ -429,7 +471,7 @@ end function
U = 0
do while(N_j < N_det_generators)
do while(N_j < pt2_n_tasks)
!ADD_COMB
N_c += 1
do t=0, pt2_N_teeth-1

42
src/Integrals_Bielec/test_integrals.irp.f
View File

@ -61,6 +61,20 @@ program bench_maps
cpu = (cpu1 - cpu0)/count_rate
print *, 'loop ijkl : ', cpu/dble(ii)
call system_clock(cpu0, count_rate, count_max)
do ii=1,100000_8
call random_number(r)
i = int(r*mo_tot_num)+1
call random_number(r)
j = int(r*mo_tot_num)+1
call random_number(r)
k = int(r*mo_tot_num)+1
call random_number(r)
l = int(r*mo_tot_num)+1
call get_mo_bielec_integral(i,j,k,l,mo_integrals_map)
enddo
call system_clock(cpu1, count_rate, count_max)
ii=0
call system_clock(cpu0, count_rate, count_max)
do jj=1,10
@ -79,6 +93,20 @@ program bench_maps
cpu = (cpu1 - cpu0)/count_rate
print *, 'loop ikjl : ', cpu/dble(ii)
call system_clock(cpu0, count_rate, count_max)
do ii=1,100000_8
call random_number(r)
i = int(r*mo_tot_num)+1
call random_number(r)
j = int(r*mo_tot_num)+1
call random_number(r)
k = int(r*mo_tot_num)+1
call random_number(r)
l = int(r*mo_tot_num)+1
call get_mo_bielec_integral(i,j,k,l,mo_integrals_map)
enddo
call system_clock(cpu1, count_rate, count_max)
ii=0
call system_clock(cpu0, count_rate, count_max)
do jj=1,10
@ -97,6 +125,20 @@ program bench_maps
cpu = (cpu1 - cpu0)/count_rate
print *, 'loop ijlk : ', cpu/dble(ii)
call system_clock(cpu0, count_rate, count_max)
do ii=1,100000_8
call random_number(r)
i = int(r*mo_tot_num)+1
call random_number(r)
j = int(r*mo_tot_num)+1
call random_number(r)
k = int(r*mo_tot_num)+1
call random_number(r)
l = int(r*mo_tot_num)+1
call get_mo_bielec_integral(i,j,k,l,mo_integrals_map)
enddo
call system_clock(cpu1, count_rate, count_max)
ii=0
call system_clock(cpu0, count_rate, count_max)
do jj=1,10