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https://github.com/LCPQ/quantum_package
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Fixed PT2 in FCI_ZMQ
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5a9b3a3f51
commit
1453c46700
@ -332,7 +332,7 @@ subroutine pt2_collector(zmq_socket_pull, E, b, tbc, comb, Ncomb, computed, pt2_
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print *, irp_here, ': Error in sending abort signal (1)'
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print *, irp_here, ': Error in sending abort signal (1)'
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endif
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endif
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endif
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endif
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exit pullLoop
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! exit pullLoop
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endif
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endif
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E0 = sum(pt2_detail(pt2_stoch_istate,:first_det_of_teeth(tooth)-1))
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E0 = sum(pt2_detail(pt2_stoch_istate,:first_det_of_teeth(tooth)-1))
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@ -366,13 +366,6 @@ subroutine pt2_collector(zmq_socket_pull, E, b, tbc, comb, Ncomb, computed, pt2_
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end if
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end if
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end do pullLoop
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end do pullLoop
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if (zmq_abort(zmq_to_qp_run_socket) == -1) then
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call sleep(1)
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if (zmq_abort(zmq_to_qp_run_socket) == -1) then
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print *, irp_here, ': Error in sending abort signal (2)'
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endif
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endif
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if(tooth == comb_teeth+1) then
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if(tooth == comb_teeth+1) then
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pt2(pt2_stoch_istate) = sum(pt2_detail(pt2_stoch_istate,:))
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pt2(pt2_stoch_istate) = sum(pt2_detail(pt2_stoch_istate,:))
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error(pt2_stoch_istate) = 0d0
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error(pt2_stoch_istate) = 0d0
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@ -246,7 +246,7 @@ IRP_ENDIF
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! stop 'Unable to set ZMQ_RCVBUF on pull socket'
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! stop 'Unable to set ZMQ_RCVBUF on pull socket'
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! endif
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! endif
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rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_RCVHWM,1,4)
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rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_RCVHWM,2,4)
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if (rc /= 0) then
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if (rc /= 0) then
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stop 'Unable to set ZMQ_RCVHWM on pull socket'
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stop 'Unable to set ZMQ_RCVHWM on pull socket'
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endif
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endif
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@ -323,7 +323,7 @@ IRP_ENDIF
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stop 'Unable to set ZMQ_LINGER on push socket'
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stop 'Unable to set ZMQ_LINGER on push socket'
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endif
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endif
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rc = f77_zmq_setsockopt(new_zmq_push_socket,ZMQ_SNDHWM,1,4)
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rc = f77_zmq_setsockopt(new_zmq_push_socket,ZMQ_SNDHWM,2,4)
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if (rc /= 0) then
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if (rc /= 0) then
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stop 'Unable to set ZMQ_SNDHWM on push socket'
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stop 'Unable to set ZMQ_SNDHWM on push socket'
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endif
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endif
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