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https://github.com/LCPQ/quantum_package
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bug with zmq_state
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80005aa36e
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045109056f
@ -31,8 +31,8 @@ OPENMP : 1 ; Append OpenMP flags
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# -ftz : Flushes denormal results to zero
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#
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[OPT]
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FCFLAGS : -xAVX -O2 -ip -ftz -g -traceback
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FCFLAGS : -xSSE4.2 -O2 -ip -ftz -g -traceback
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# !xAVX
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# Profiling flags
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#################
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#
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@ -38,19 +38,16 @@ subroutine run_wf
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zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
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do
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call wait_for_states(states,zmq_state,1)
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if(trim(zmq_state) == 'Stopped') then
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if(zmq_state(1:7) == 'Stopped') then
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exit
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else if (trim(zmq_state) == 'mrcc') then
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else if (zmq_state(1:4) == 'mrcc') then
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! Selection
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! ---------
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print *, 'mrcc'
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!call wall_time(t0)
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if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle
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if (zmq_get_N_det_generators (zmq_to_qp_run_socket, 1) == -1) cycle
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@ -209,7 +209,6 @@ subroutine mrcc_collector(zmq_socket_pull, E, relative_error, delta, delta_s2, m
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old_cur_cp = 0
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pullLoop : do while (more == 1)
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call pull_mrcc_results(zmq_socket_pull, Nindex, ind, mrcc_mwen, delta_loc, task_id, ntask)
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if(Nindex /= 1) stop "tried pull multiple Nindex"
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do i=1,Nindex
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@ -41,7 +41,6 @@ subroutine run_mrcc_slave(thread,iproc,energy)
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integer :: h,p,n
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logical :: ok
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double precision :: contrib(N_states)
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allocate(delta_ij_loc(N_states,N_det_non_ref,2) &
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,delta_ii_loc(N_states,2))! &
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!,delta_ij_s2_loc(N_states,N_det_non_ref,N_det_ref) &
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@ -73,7 +72,7 @@ subroutine run_mrcc_slave(thread,iproc,energy)
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else
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integer :: i_generator, i_i_generator, subset
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read (task,*) subset, ind
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print *, "SLAVE RECEIVED", ind
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! if(buf%N == 0) then
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! ! Only first time
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! call create_selection_buffer(1, 2, buf)
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