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Code Issues Releases Wiki Activity

Fixed parallel runs

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This commit is contained in:
Anthony Scemama 2018-06-05 22:32:06 +02:00
parent a4fded893f
commit 9f127c40a7
4 changed files with 16 additions and 11 deletions
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2
plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
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@ -83,7 +83,7 @@ subroutine ZMQ_pt2(E, pt2,relative_error, absolute_error, error)
if (zmq_put_dvector(zmq_to_qp_run_socket,1,'energy',pt2_e0_denominator,size(pt2_e0_denominator)) == -1) then if (zmq_put_dvector(zmq_to_qp_run_socket,1,'energy',pt2_e0_denominator,size(pt2_e0_denominator)) == -1) then
stop 'Unable to put energy on ZMQ server' stop 'Unable to put energy on ZMQ server'
endif endif
if (zmq_put_dvector(zmq_to_qp_run_socket,1,'state_average_weight',pt2_e0_denominator,size(state_average_weight)) == -1) then if (zmq_put_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) then
stop 'Unable to put state_average_weight on ZMQ server' stop 'Unable to put state_average_weight on ZMQ server'
endif endif
if (zmq_put_ivector(zmq_to_qp_run_socket,1,'pt2_stoch_istate',pt2_stoch_istate,1) == -1) then if (zmq_put_ivector(zmq_to_qp_run_socket,1,'pt2_stoch_istate',pt2_stoch_istate,1) == -1) then

21
plugins/Full_CI_ZMQ/selection_davidson_slave.irp.f
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@ -63,15 +63,21 @@ subroutine run_wf
call wall_time(t0) call wall_time(t0)
if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'energy',energy,N_states) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) cycle
if (zmq_get_N_det_generators (zmq_to_qp_run_socket, 1) == -1) cycle
if (zmq_get_N_det_selectors(zmq_to_qp_run_socket, 1) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_generators',threshold_generators,1) == -1) cycle if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_generators',threshold_generators,1) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_selectors',threshold_selectors,1) == -1) cycle if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_selectors',threshold_selectors,1) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'energy',energy,N_states) == -1) cycle
if (zmq_get_N_det_generators (zmq_to_qp_run_socket, 1) == -1) cycle
if (zmq_get_N_det_selectors(zmq_to_qp_run_socket, 1) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) cycle
psi_energy(1:N_states) = energy(1:N_states) psi_energy(1:N_states) = energy(1:N_states)
TOUCH psi_energy state_average_weight threshold_selectors threshold_generators TOUCH psi_energy state_average_weight threshold_selectors threshold_generators
print *, 'N_det', N_det
print *, 'N_det_generators', N_det_generators
print *, 'N_det_selectors', N_det_selectors
print *, 'psi_energy', psi_energy
print *, 'pt2_stoch_istate', pt2_stoch_istate
print *, 'state_average_weight', state_average_weight
call wall_time(t1) call wall_time(t1)
call write_double(6,(t1-t0),'Broadcast time') call write_double(6,(t1-t0),'Broadcast time')
@ -108,13 +114,13 @@ subroutine run_wf
print *, 'PT2' print *, 'PT2'
call wall_time(t0) call wall_time(t0)
if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'energy',energy,N_states) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) cycle
if (zmq_get_ivector(zmq_to_qp_run_socket,1,'pt2_stoch_istate',pt2_stoch_istate,1) == -1) cycle
if (zmq_get_N_det_generators (zmq_to_qp_run_socket, 1) == -1) cycle if (zmq_get_N_det_generators (zmq_to_qp_run_socket, 1) == -1) cycle
if (zmq_get_N_det_selectors(zmq_to_qp_run_socket, 1) == -1) cycle if (zmq_get_N_det_selectors(zmq_to_qp_run_socket, 1) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_generators',threshold_generators,1) == -1) cycle if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_generators',threshold_generators,1) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_selectors',threshold_selectors,1) == -1) cycle if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_selectors',threshold_selectors,1) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'energy',energy,N_states) == -1) cycle
if (zmq_get_ivector(zmq_to_qp_run_socket,1,'pt2_stoch_istate',pt2_stoch_istate,1) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) cycle
psi_energy(1:N_states) = energy(1:N_states) psi_energy(1:N_states) = energy(1:N_states)
TOUCH psi_energy state_average_weight pt2_stoch_istate threshold_selectors threshold_generators TOUCH psi_energy state_average_weight pt2_stoch_istate threshold_selectors threshold_generators
print *, 'N_det', N_det print *, 'N_det', N_det
@ -134,7 +140,6 @@ subroutine run_wf
call run_pt2_slave(0,i,pt2_e0_denominator) call run_pt2_slave(0,i,pt2_e0_denominator)
!$OMP END PARALLEL !$OMP END PARALLEL
print *, 'PT2 done' print *, 'PT2 done'
exit
FREE state_average_weight FREE state_average_weight
endif endif

2
plugins/Full_CI_ZMQ/zmq_selection.irp.f
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@ -44,7 +44,7 @@ subroutine ZMQ_selection(N_in, pt2)
if (zmq_put_dvector(zmq_to_qp_run_socket,1,'threshold_selectors',threshold_selectors,1) == -1) then if (zmq_put_dvector(zmq_to_qp_run_socket,1,'threshold_selectors',threshold_selectors,1) == -1) then
stop 'Unable to put threshold_selectors on ZMQ server' stop 'Unable to put threshold_selectors on ZMQ server'
endif endif
if (zmq_put_dvector(zmq_to_qp_run_socket,1,'state_average_weight',pt2_e0_denominator,size(state_average_weight)) == -1) then if (zmq_put_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) then
stop 'Unable to put state_average_weight on ZMQ server' stop 'Unable to put state_average_weight on ZMQ server'
endif endif
if (zmq_put_dvector(zmq_to_qp_run_socket,1,'threshold_generators',threshold_generators,1) == -1) then if (zmq_put_dvector(zmq_to_qp_run_socket,1,'threshold_generators',threshold_generators,1) == -1) then

2
src/ZMQ/put_get.irp.f
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@ -86,7 +86,7 @@ integer function zmq_get_dvector(zmq_to_qp_run_socket, worker_id, name, x, size_
print *, irp_here//': Unable to broadcast zmq_get_dvector' print *, irp_here//': Unable to broadcast zmq_get_dvector'
stop -1 stop -1
endif endif
call MPI_BCAST (x, size_x, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) call MPI_BCAST (x, size_x, MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr)
if (ierr /= MPI_SUCCESS) then if (ierr /= MPI_SUCCESS) then
print *, irp_here//': Unable to broadcast dvector' print *, irp_here//': Unable to broadcast dvector'
stop -1 stop -1