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Optimized parallelism of AO ints

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This commit is contained in:
Anthony Scemama 2016-06-23 12:13:18 +02:00
parent c707f3fee0
commit 025911df0b
4 changed files with 5 additions and 9 deletions
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2
src/Determinants/H_apply_zmq.template.f
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@ -174,7 +174,7 @@ subroutine $subroutine_slave(thread, iproc)
fock_diag_tmp, i_generator, iproc $params_post) fock_diag_tmp, i_generator, iproc $params_post)
endif endif
call task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id,1) call task_done_to_taskserver(zmq_to_qp_run_socket, worker_id, task_id)
call push_pt2(zmq_socket_push,pt2,norm_pert,H_pert_diag,i_generator,N_st,task_id) call push_pt2(zmq_socket_push,pt2,norm_pert,H_pert_diag,i_generator,N_st,task_id)
enddo enddo

2
src/Integrals_Bielec/ao_bi_integrals.irp.f
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@ -369,7 +369,7 @@ BEGIN_PROVIDER [ logical, ao_bielec_integrals_in_map ]
call new_parallel_job(zmq_to_qp_run_socket,'ao_integrals') call new_parallel_job(zmq_to_qp_run_socket,'ao_integrals')
do l=1,ao_num do l=1,ao_num
write(task,*) l write(task,*) "triangle ", l
call add_task_to_taskserver(zmq_to_qp_run_socket,task) call add_task_to_taskserver(zmq_to_qp_run_socket,task)
enddo enddo

6
src/Integrals_Bielec/ao_bielec_integrals_in_map_slave.irp.f
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@ -103,12 +103,8 @@ subroutine ao_bielec_integrals_in_map_slave(thread,iproc)
do do
call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, task) call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, task)
if (task_id == 0) exit if (task_id == 0) exit
read(task,*) l read(task,*) j, l
do j=1,l-1
call compute_ao_integrals_jl(j,l,n_integrals,buffer_i,buffer_value) call compute_ao_integrals_jl(j,l,n_integrals,buffer_i,buffer_value)
call push_integrals(zmq_socket_push, n_integrals, buffer_i, buffer_value, 0)
enddo
call compute_ao_integrals_jl(l,l,n_integrals,buffer_i,buffer_value)
call task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id) call task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id)
call push_integrals(zmq_socket_push, n_integrals, buffer_i, buffer_value, task_id) call push_integrals(zmq_socket_push, n_integrals, buffer_i, buffer_value, task_id)
enddo enddo