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https://github.com/LCPQ/quantum_package
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Optimized parallelism of AO ints
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@ -174,7 +174,7 @@ subroutine $subroutine_slave(thread, iproc)
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fock_diag_tmp, i_generator, iproc $params_post)
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endif
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call task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id,1)
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call task_done_to_taskserver(zmq_to_qp_run_socket, worker_id, task_id)
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call push_pt2(zmq_socket_push,pt2,norm_pert,H_pert_diag,i_generator,N_st,task_id)
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enddo
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@ -369,7 +369,7 @@ BEGIN_PROVIDER [ logical, ao_bielec_integrals_in_map ]
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call new_parallel_job(zmq_to_qp_run_socket,'ao_integrals')
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do l=1,ao_num
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write(task,*) l
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write(task,*) "triangle ", l
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call add_task_to_taskserver(zmq_to_qp_run_socket,task)
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enddo
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@ -103,12 +103,8 @@ subroutine ao_bielec_integrals_in_map_slave(thread,iproc)
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do
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call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, task)
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if (task_id == 0) exit
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read(task,*) l
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do j=1,l-1
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call compute_ao_integrals_jl(j,l,n_integrals,buffer_i,buffer_value)
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call push_integrals(zmq_socket_push, n_integrals, buffer_i, buffer_value, 0)
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enddo
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call compute_ao_integrals_jl(l,l,n_integrals,buffer_i,buffer_value)
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read(task,*) j, l
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call compute_ao_integrals_jl(j,l,n_integrals,buffer_i,buffer_value)
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call task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id)
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call push_integrals(zmq_socket_push, n_integrals, buffer_i, buffer_value, task_id)
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enddo
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@ -605,7 +605,7 @@ subroutine add_task_to_taskserver(zmq_to_qp_run_socket,task)
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end
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subroutine task_done_to_taskserver(zmq_to_qp_run_socket,worker_id, task_id)
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subroutine task_done_to_taskserver(zmq_to_qp_run_socket, worker_id, task_id)
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use f77_zmq
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implicit none
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BEGIN_DOC
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