2016-02-19 00:20:28 +01:00
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subroutine ao_bielec_integrals_in_map_slave_tcp(i)
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2015-12-07 22:03:33 +01:00
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implicit none
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2016-02-19 00:20:28 +01:00
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integer, intent(in) :: i
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2015-12-07 22:03:33 +01:00
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BEGIN_DOC
|
2016-02-19 00:20:28 +01:00
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! Computes a buffer of integrals. i is the ID of the current thread.
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2015-12-07 22:03:33 +01:00
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END_DOC
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2016-02-19 00:20:28 +01:00
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call ao_bielec_integrals_in_map_slave(0,i)
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2015-12-07 22:03:33 +01:00
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end
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2016-02-19 00:20:28 +01:00
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subroutine ao_bielec_integrals_in_map_slave_inproc(i)
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2015-12-07 22:03:33 +01:00
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implicit none
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2016-02-19 00:20:28 +01:00
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integer, intent(in) :: i
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2015-12-07 22:03:33 +01:00
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BEGIN_DOC
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2016-02-19 00:20:28 +01:00
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! Computes a buffer of integrals. i is the ID of the current thread.
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2015-12-07 22:03:33 +01:00
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END_DOC
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2016-02-19 00:20:28 +01:00
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call ao_bielec_integrals_in_map_slave(1,i)
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2015-12-07 22:03:33 +01:00
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end
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2016-02-19 00:20:28 +01:00
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subroutine push_integrals(zmq_socket_push, n_integrals, buffer_i, buffer_value, task_id)
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use f77_zmq
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use map_module
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implicit none
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BEGIN_DOC
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! Push integrals in the push socket
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END_DOC
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integer(ZMQ_PTR), intent(in) :: zmq_socket_push
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integer, intent(in) :: n_integrals
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integer(key_kind), intent(in) :: buffer_i(*)
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real(integral_kind), intent(in) :: buffer_value(*)
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integer, intent(in) :: task_id
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integer :: rc
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rc = f77_zmq_send( zmq_socket_push, n_integrals, 4, ZMQ_SNDMORE)
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if (rc /= 4) then
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2016-07-13 01:10:36 +02:00
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print *, irp_here, ': f77_zmq_send( zmq_socket_push, n_integrals, 4, ZMQ_SNDMORE)'
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2016-02-19 00:20:28 +01:00
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stop 'error'
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endif
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rc = f77_zmq_send( zmq_socket_push, buffer_i, key_kind*n_integrals, ZMQ_SNDMORE)
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if (rc /= key_kind*n_integrals) then
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2016-07-13 01:10:36 +02:00
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print *, irp_here, ': f77_zmq_send( zmq_socket_push, buffer_i, key_kind*n_integrals, ZMQ_SNDMORE)'
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2016-02-19 00:20:28 +01:00
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stop 'error'
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endif
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rc = f77_zmq_send( zmq_socket_push, buffer_value, integral_kind*n_integrals, ZMQ_SNDMORE)
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if (rc /= integral_kind*n_integrals) then
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2016-07-13 01:10:36 +02:00
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print *, irp_here, ': f77_zmq_send( zmq_socket_push, buffer_value, integral_kind*n_integrals, 0)'
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2016-02-19 00:20:28 +01:00
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stop 'error'
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endif
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rc = f77_zmq_send( zmq_socket_push, task_id, 4, 0)
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if (rc /= 4) then
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2016-07-13 01:10:36 +02:00
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print *, irp_here, ': f77_zmq_send( zmq_socket_push, task_id, 4, 0)'
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2016-02-19 00:20:28 +01:00
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stop 'error'
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endif
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! Activate is zmq_socket_push is a REQ
|
2016-05-02 10:31:57 +02:00
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! integer :: idummy
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! rc = f77_zmq_recv( zmq_socket_push, idummy, 4, 0)
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! if (rc /= 4) then
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2016-07-13 01:10:36 +02:00
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! print *, irp_here, ': f77_zmq_send( zmq_socket_push, idummy, 4, 0)'
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2016-05-02 10:31:57 +02:00
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! stop 'error'
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! endif
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2016-02-19 00:20:28 +01:00
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end
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2016-05-02 10:31:57 +02:00
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2016-02-19 00:20:28 +01:00
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subroutine ao_bielec_integrals_in_map_slave(thread,iproc)
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2015-12-01 16:45:41 +01:00
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use map_module
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use f77_zmq
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implicit none
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BEGIN_DOC
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! Computes a buffer of integrals
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END_DOC
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|
2016-02-19 00:20:28 +01:00
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integer, intent(in) :: thread, iproc
|
2015-12-07 22:03:33 +01:00
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2015-12-01 16:45:41 +01:00
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integer :: j,l,n_integrals
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integer :: rc
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real(integral_kind), allocatable :: buffer_value(:)
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integer(key_kind), allocatable :: buffer_i(:)
|
2015-12-07 22:03:33 +01:00
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integer :: worker_id, task_id
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character*(512) :: task
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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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|
2016-02-19 00:20:28 +01:00
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integer(ZMQ_PTR), external :: new_zmq_push_socket
|
2015-12-07 22:03:33 +01:00
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integer(ZMQ_PTR) :: zmq_socket_push
|
2016-02-19 00:20:28 +01:00
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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)
|
2015-12-01 16:45:41 +01:00
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|
2015-12-07 22:03:33 +01:00
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allocate ( buffer_i(ao_num*ao_num), buffer_value(ao_num*ao_num) )
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2015-12-01 16:45:41 +01:00
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|
2015-12-07 22:03:33 +01:00
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call connect_to_taskserver(zmq_to_qp_run_socket,worker_id,thread)
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2015-12-01 16:45:41 +01:00
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|
2015-12-07 22:03:33 +01:00
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do
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call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, task)
|
2016-02-19 00:20:28 +01:00
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if (task_id == 0) exit
|
2016-06-23 12:13:18 +02:00
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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)
|
2016-05-02 10:31:57 +02:00
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call task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id)
|
2016-02-19 00:20:28 +01:00
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call push_integrals(zmq_socket_push, n_integrals, buffer_i, buffer_value, task_id)
|
2015-12-01 16:45:41 +01:00
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enddo
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deallocate( buffer_i, buffer_value )
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|
2016-02-19 00:20:28 +01:00
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call disconnect_from_taskserver(zmq_to_qp_run_socket,zmq_socket_push,worker_id)
|
2016-02-22 20:17:48 +01:00
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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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2016-02-19 00:20:28 +01:00
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call end_zmq_push_socket(zmq_socket_push,thread)
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end
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|
2015-12-07 22:03:33 +01:00
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|
2016-02-19 00:20:28 +01:00
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subroutine pull_integrals(zmq_socket_pull, n_integrals, buffer_i, buffer_value, task_id)
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use f77_zmq
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use map_module
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implicit none
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|
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|
BEGIN_DOC
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! How the collector pulls the computed integrals
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END_DOC
|
2016-05-02 10:31:57 +02:00
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integer(ZMQ_PTR), intent(in) :: zmq_socket_pull
|
2016-02-19 00:20:28 +01:00
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integer, intent(out) :: n_integrals
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integer(key_kind), intent(out) :: buffer_i(*)
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real(integral_kind), intent(out) :: buffer_value(*)
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integer, intent(out) :: task_id
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integer :: rc
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rc = f77_zmq_recv( zmq_socket_pull, n_integrals, 4, 0)
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if (rc == -1) then
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n_integrals = 0
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return
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endif
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if (rc /= 4) then
|
2016-07-13 01:10:36 +02:00
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print *, irp_here, ': f77_zmq_recv( zmq_socket_pull, n_integrals, 4, 0)'
|
2016-02-19 00:20:28 +01:00
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stop 'error'
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endif
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if (n_integrals >= 0) then
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rc = f77_zmq_recv( zmq_socket_pull, buffer_i, key_kind*n_integrals, 0)
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if (rc /= key_kind*n_integrals) then
|
2016-07-13 01:10:36 +02:00
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print *, rc, key_kind, n_integrals
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print *, irp_here, ': f77_zmq_recv( zmq_socket_pull, buffer_i, key_kind*n_integrals, 0)'
|
2016-02-19 00:20:28 +01:00
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stop 'error'
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endif
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rc = f77_zmq_recv( zmq_socket_pull, buffer_value, integral_kind*n_integrals, 0)
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if (rc /= integral_kind*n_integrals) then
|
2016-07-13 01:10:36 +02:00
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print *, irp_here, ': f77_zmq_recv( zmq_socket_pull, buffer_value, integral_kind*n_integrals, 0)'
|
2016-02-19 00:20:28 +01:00
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stop 'error'
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endif
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rc = f77_zmq_recv( zmq_socket_pull, task_id, 4, 0)
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if (rc /= 4) then
|
2016-07-13 01:10:36 +02:00
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print *, irp_here, ': f77_zmq_recv( zmq_socket_pull, task_id, 4, 0)'
|
2016-02-19 00:20:28 +01:00
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stop 'error'
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endif
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|
2015-12-07 22:03:33 +01:00
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endif
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|
2016-02-19 00:20:28 +01:00
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! Activate if zmq_socket_pull is a REP
|
2016-05-02 10:31:57 +02:00
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! rc = f77_zmq_send( zmq_socket_pull, 0, 4, 0)
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! if (rc /= 4) then
|
2016-07-13 01:10:36 +02:00
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! print *, irp_here, ' : f77_zmq_send (zmq_socket_pull,...'
|
2016-05-02 10:31:57 +02:00
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! stop 'error'
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! endif
|
2015-12-07 22:03:33 +01:00
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|
2015-12-01 16:45:41 +01:00
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end
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subroutine ao_bielec_integrals_in_map_collector
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use map_module
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use f77_zmq
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implicit none
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|
BEGIN_DOC
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! Collects results from the AO integral calculation
|
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END_DOC
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integer :: j,l,n_integrals
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integer :: rc
|
2016-02-19 00:20:28 +01:00
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|
2015-12-01 16:45:41 +01:00
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real(integral_kind), allocatable :: buffer_value(:)
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integer(key_kind), allocatable :: buffer_i(:)
|
2016-02-19 00:20:28 +01:00
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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_pull_socket
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integer(ZMQ_PTR) :: zmq_socket_pull
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integer*8 :: control, accu
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integer :: task_id, more
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zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
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zmq_socket_pull = new_zmq_pull_socket()
|
2015-12-01 16:45:41 +01:00
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allocate ( buffer_i(ao_num*ao_num), buffer_value(ao_num*ao_num) )
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|
2016-02-19 00:20:28 +01:00
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|
accu = 0_8
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more = 1
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do while (more == 1)
|
2015-12-01 16:45:41 +01:00
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|
2016-02-19 00:20:28 +01:00
|
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|
call pull_integrals(zmq_socket_pull, n_integrals, buffer_i, buffer_value, task_id)
|
2016-07-13 01:10:36 +02:00
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|
2015-12-07 22:03:33 +01:00
|
|
|
if (n_integrals >= 0) then
|
2016-07-13 01:10:36 +02:00
|
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|
2015-12-01 16:45:41 +01:00
|
|
|
call insert_into_ao_integrals_map(n_integrals,buffer_i,buffer_value)
|
2016-02-19 00:20:28 +01:00
|
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|
accu += n_integrals
|
|
|
|
if (task_id /= 0) then
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|
|
|
call zmq_delete_task(zmq_to_qp_run_socket,zmq_socket_pull,task_id,more)
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|
|
|
endif
|
2015-12-01 16:45:41 +01:00
|
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|
endif
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enddo
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deallocate( buffer_i, buffer_value )
|
2015-12-07 22:03:33 +01:00
|
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|
2016-02-19 00:20:28 +01:00
|
|
|
integer (map_size_kind) :: get_ao_map_size
|
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|
|
control = get_ao_map_size(ao_integrals_map)
|
|
|
|
|
|
|
|
if (control /= accu) then
|
2016-06-16 12:47:08 +02:00
|
|
|
print *, ''
|
|
|
|
print *, irp_here
|
|
|
|
print *, 'Control : ', control
|
|
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|
print *, 'Accu : ', accu
|
|
|
|
print *, 'Some integrals were lost during the parallel computation.'
|
2016-02-19 00:20:28 +01:00
|
|
|
print *, 'Try to reduce the number of threads.'
|
|
|
|
stop
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|
endif
|
|
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|
|
call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
|
|
|
|
call end_zmq_pull_socket(zmq_socket_pull)
|
|
|
|
|
2015-12-01 16:45:41 +01:00
|
|
|
end
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