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Code Issues Releases Wiki Activity

Fixed bug in selection

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This commit is contained in:
Anthony Scemama 2017-05-11 10:56:33 +02:00
parent 2a6b86d0ac
commit 7801c57de9
3 changed files with 1182 additions and 1181 deletions
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2
plugins/Full_CI_ZMQ/pt2_stoch.irp.f
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@ -24,7 +24,7 @@ subroutine run
E_CI_before = pt2_E0_denominator(1) + nuclear_repulsion
threshold_selectors = 1.d0
threshold_generators = 1d0
relative_error = 1.d-3
relative_error = -1.d-3
call ZMQ_pt2(E_CI_before, pt2, relative_error)
print *, 'Final step'
print *, 'N_det = ', N_det

64
plugins/Full_CI_ZMQ/run_selection_slave.irp.f
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@ -91,42 +91,38 @@ subroutine push_selection_results(zmq_socket_push, pt2, b, task_id, ntask)
type(selection_buffer), intent(inout) :: b
integer, intent(in) :: ntask, task_id(*)
integer :: rc
integer :: bcur
bcur = max(b%cur,1)
rc = f77_zmq_send( zmq_socket_push, bcur, 4, ZMQ_SNDMORE)
rc = f77_zmq_send( zmq_socket_push, b%cur, 4, ZMQ_SNDMORE)
if(rc /= 4) then
print *, b%cur, bcur
print *, 'f77_zmq_send( zmq_socket_push, bcur, 4, ZMQ_SNDMORE)'
print *, 'f77_zmq_send( zmq_socket_push, b%cur, 4, ZMQ_SNDMORE)'
endif
rc = f77_zmq_send( zmq_socket_push, pt2, 8*N_states, ZMQ_SNDMORE)
if(rc /= 8*N_states) then
print *, b%cur, bcur
print *, 'f77_zmq_send( zmq_socket_push, pt2, 8*N_states, ZMQ_SNDMORE)'
endif
if (b%cur > 0) then
rc = f77_zmq_send( zmq_socket_push, b%val(1), 8*bcur, ZMQ_SNDMORE)
if(rc /= 8*bcur) then
print *, b%cur, bcur
print *, 'f77_zmq_send( zmq_socket_push, b%val(1), 8*bcur, ZMQ_SNDMORE)'
endif
rc = f77_zmq_send( zmq_socket_push, pt2, 8*N_states, ZMQ_SNDMORE)
if(rc /= 8*N_states) then
print *, 'f77_zmq_send( zmq_socket_push, pt2, 8*N_states, ZMQ_SNDMORE)'
endif
rc = f77_zmq_send( zmq_socket_push, b%val(1), 8*b%cur, ZMQ_SNDMORE)
if(rc /= 8*b%cur) then
print *, 'f77_zmq_send( zmq_socket_push, b%val(1), 8*b%cur, ZMQ_SNDMORE)'
endif
rc = f77_zmq_send( zmq_socket_push, b%det(1,1,1), bit_kind*N_int*2*b%cur, ZMQ_SNDMORE)
if(rc /= bit_kind*N_int*2*b%cur) then
print *, 'f77_zmq_send( zmq_socket_push, b%det(1,1,1), bit_kind*N_int*2*b%cur, ZMQ_SNDMORE)'
endif
rc = f77_zmq_send( zmq_socket_push, b%det(1,1,1), bit_kind*N_int*2*bcur, ZMQ_SNDMORE)
if(rc /= bit_kind*N_int*2*bcur) then
print *, b%cur, bcur
print *, 'f77_zmq_send( zmq_socket_push, b%det(1,1,1), bit_kind*N_int*2*bcur, ZMQ_SNDMORE)'
endif
rc = f77_zmq_send( zmq_socket_push, ntask, 4, ZMQ_SNDMORE)
if(rc /= 4) then
print *, b%cur, bcur
print *, 'f77_zmq_send( zmq_socket_push, ntask, 4, ZMQ_SNDMORE)'
endif
rc = f77_zmq_send( zmq_socket_push, task_id(1), ntask*4, 0)
if(rc /= 4*ntask) then
print *, b%cur, bcur
print *, 'f77_zmq_send( zmq_socket_push, task_id(1), ntask*4, 0)'
endif
@ -151,19 +147,23 @@ subroutine pull_selection_results(zmq_socket_pull, pt2, val, det, N, task_id, nt
print *, 'f77_zmq_recv( zmq_socket_pull, N, 4, 0)'
endif
rc = f77_zmq_recv( zmq_socket_pull, pt2, N_states*8, 0)
if(rc /= 8*N_states) then
print *, 'f77_zmq_recv( zmq_socket_pull, pt2, N_states*8, 0)'
endif
if (N>0) then
rc = f77_zmq_recv( zmq_socket_pull, pt2, N_states*8, 0)
if(rc /= 8*N_states) then
print *, 'f77_zmq_recv( zmq_socket_pull, pt2, N_states*8, 0)'
endif
rc = f77_zmq_recv( zmq_socket_pull, val(1), 8*N, 0)
if(rc /= 8*N) then
print *, 'f77_zmq_recv( zmq_socket_pull, val(1), 8*N, 0)'
endif
rc = f77_zmq_recv( zmq_socket_pull, val(1), 8*N, 0)
if(rc /= 8*N) then
print *, 'f77_zmq_recv( zmq_socket_pull, val(1), 8*N, 0)'
endif
rc = f77_zmq_recv( zmq_socket_pull, det(1,1,1), bit_kind*N_int*2*N, 0)
if(rc /= bit_kind*N_int*2*N) then
print *, 'f77_zmq_recv( zmq_socket_pull, det(1,1,1), bit_kind*N_int*2*N, 0)'
rc = f77_zmq_recv( zmq_socket_pull, det(1,1,1), bit_kind*N_int*2*N, 0)
if(rc /= bit_kind*N_int*2*N) then
print *, 'f77_zmq_recv( zmq_socket_pull, det(1,1,1), bit_kind*N_int*2*N, 0)'
endif
else
pt2(:) = 0.d0
endif
rc = f77_zmq_recv( zmq_socket_pull, ntask, 4, 0)

2297
plugins/Full_CI_ZMQ/selection.irp.f
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