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Corrected bug in transposed collector

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This commit is contained in:
Anthony Scemama 2016-10-07 09:46:59 +02:00
parent 693604d338
commit f7a2710f5c
2 changed files with 43 additions and 49 deletions
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18
src/Davidson/davidson_parallel.irp.f
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@ -327,11 +327,6 @@ subroutine davidson_collector(zmq_to_qp_run_socket, zmq_socket_pull , v0, s0)
integer , allocatable :: idx(:) integer , allocatable :: idx(:)
double precision , allocatable :: vt(:,:), v0t(:,:), s0t(:,:) double precision , allocatable :: vt(:,:), v0t(:,:), s0t(:,:)
double precision , allocatable :: st(:,:) double precision , allocatable :: st(:,:)
integer :: deleted
logical, allocatable :: done(:)
allocate(done(shortcut_(0,1)))
deleted = 0
done = .false.
allocate(idx(dav_size)) allocate(idx(dav_size))
allocate(vt(N_states_diag, dav_size)) allocate(vt(N_states_diag, dav_size))
@ -339,6 +334,9 @@ subroutine davidson_collector(zmq_to_qp_run_socket, zmq_socket_pull , v0, s0)
allocate(v0t(N_states_diag, dav_size)) allocate(v0t(N_states_diag, dav_size))
allocate(s0t(N_states_diag, dav_size)) allocate(s0t(N_states_diag, dav_size))
v0t = 00.d0
s0t = 00.d0
more = 1 more = 1
do while (more == 1) do while (more == 1)
@ -346,9 +344,8 @@ subroutine davidson_collector(zmq_to_qp_run_socket, zmq_socket_pull , v0, s0)
!DIR$ FORCEINLINE !DIR$ FORCEINLINE
call davidson_collect(blockb, blocke, N, idx, vt, st , v0t, s0t) call davidson_collect(blockb, blocke, N, idx, vt, st , v0t, s0t)
call zmq_delete_task(zmq_to_qp_run_socket,zmq_socket_pull,task_id,more) call zmq_delete_task(zmq_to_qp_run_socket,zmq_socket_pull,task_id,more)
deleted += 1
end do end do
deallocate(idx,vt,st,done) deallocate(idx,vt,st)
call dtranspose(v0t,size(v0t,1), v0, size(v0,1), N_states_diag, dav_size) call dtranspose(v0t,size(v0t,1), v0, size(v0,1), N_states_diag, dav_size)
call dtranspose(s0t,size(s0t,1), s0, size(s0,1), N_states_diag, dav_size) call dtranspose(s0t,size(s0t,1), s0, size(s0,1), N_states_diag, dav_size)
@ -391,7 +388,7 @@ subroutine davidson_run(zmq_to_qp_run_socket , v0, s0)
else if(i==1) then else if(i==1) then
call davidson_miniserver_run() call davidson_miniserver_run()
else else
call davidson_slave_inproc(i-1) call davidson_slave_inproc(i)
endif endif
!$OMP END PARALLEL !$OMP END PARALLEL
call end_parallel_job(zmq_to_qp_run_socket, 'davidson') call end_parallel_job(zmq_to_qp_run_socket, 'davidson')
@ -442,10 +439,8 @@ subroutine davidson_miniserver_end()
requester = f77_zmq_socket(zmq_context, ZMQ_REQ) requester = f77_zmq_socket(zmq_context, ZMQ_REQ)
rc = f77_zmq_connect(requester,address) rc = f77_zmq_connect(requester,address)
rc = f77_zmq_send(requester, "end", 3, ZMQ_NOBLOCK) rc = f77_zmq_send(requester, "end", 3, 0)
if (rc > 0) then
rc = f77_zmq_recv(requester, buf, 3, 0) rc = f77_zmq_recv(requester, buf, 3, 0)
endif
rc = f77_zmq_close(requester) rc = f77_zmq_close(requester)
end subroutine end subroutine
@ -471,7 +466,6 @@ subroutine davidson_miniserver_get()
rc = f77_zmq_recv(requester, dav_ut, 8*dav_size*N_states_diag, 0) rc = f77_zmq_recv(requester, dav_ut, 8*dav_size*N_states_diag, 0)
TOUCH dav_det dav_ut TOUCH dav_det dav_ut
rc = f77_zmq_close(requester)
end subroutine end subroutine