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https://github.com/LCPQ/quantum_package
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Tuned davidson
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@ -106,7 +106,8 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, N_st, sze_
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endif
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if (N_det_read /= N_det) then
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stop 'error : N_det'
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N_det = N_det_read
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TOUCH N_det
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endif
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rc = f77_zmq_recv(zmq_to_qp_run_socket,psi_det,N_int*2*N_det*bit_kind,0)
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@ -339,9 +340,9 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze_8)
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integer :: istep, imin, imax, ishift
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istep=2
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do imin=1,N_det, 262144
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do imin=1,N_det, 1048576
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do ishift=0,istep-1
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imax = min(N_det, imin+262144-1)
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imax = min(N_det, imin+1048576-1)
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write(task,'(4(I9,1X),1A)') imin, imax, ishift, istep, '|'
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call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task))
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enddo
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