2015-12-09 23:20:34 +01:00
|
|
|
program qp_ao_ints
|
2016-02-19 00:20:28 +01:00
|
|
|
use omp_lib
|
2015-12-09 23:20:34 +01:00
|
|
|
implicit none
|
|
|
|
|
BEGIN_DOC
|
|
|
|
|
! Increments a running calculation to compute AO integrals
|
|
|
|
|
END_DOC
|
2016-02-19 00:20:28 +01:00
|
|
|
integer :: i
|
2015-12-09 23:20:34 +01:00
|
|
|
|
2016-02-19 00:20:28 +01:00
|
|
|
call switch_qp_run_to_master
|
|
|
|
|
|
|
|
|
|
PROVIDE zmq_context
|
2015-12-09 23:20:34 +01:00
|
|
|
! Set the state of the ZMQ
|
|
|
|
|
zmq_state = 'ao_integrals'
|
|
|
|
|
|
|
|
|
|
! Provide everything needed
|
|
|
|
|
double precision :: integral, ao_bielec_integral
|
|
|
|
|
integral = ao_bielec_integral(1,1,1,1)
|
|
|
|
|
|
2016-02-19 00:20:28 +01:00
|
|
|
!$OMP PARALLEL DEFAULT(PRIVATE) PRIVATE(i)
|
|
|
|
|
i = omp_get_thread_num()
|
|
|
|
|
call ao_bielec_integrals_in_map_slave_tcp(i)
|
2015-12-09 23:20:34 +01:00
|
|
|
!$OMP END PARALLEL
|
|
|
|
|
|
|
|
|
|
print *, 'Done'
|
|
|
|
|
end
|
|
|
|
|
|
