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https://github.com/QuantumPackage/qp2.git
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Merge branch 'bugfix' into dev
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commit
b9c828b6a1
7
configure
vendored
7
configure
vendored
@ -3,9 +3,6 @@
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# Quantum Package configuration script
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# Quantum Package configuration script
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#
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#
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unset CC
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unset CXX
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TEMP=$(getopt -o c:i:h -l config:,install:,help -n $0 -- "$@") || exit 1
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TEMP=$(getopt -o c:i:h -l config:,install:,help -n $0 -- "$@") || exit 1
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eval set -- "$TEMP"
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eval set -- "$TEMP"
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@ -14,6 +11,10 @@ echo "QP_ROOT="$QP_ROOT
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unset CC
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unset CC
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unset CCXX
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unset CCXX
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# Force GCC instead of ICC for dependencies
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export CC=gcc
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# When updating version, update also etc files
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# When updating version, update also etc files
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BATS_URL="https://github.com/bats-core/bats-core/archive/v1.1.0.tar.gz"
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BATS_URL="https://github.com/bats-core/bats-core/archive/v1.1.0.tar.gz"
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@ -117,8 +117,12 @@ subroutine run_slave_main
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call mpi_print('zmq_get_dvector state_average_weight')
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call mpi_print('zmq_get_dvector state_average_weight')
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IRP_ENDIF
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IRP_ENDIF
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) cycle
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) cycle
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IRP_IF MPI_DEBUG
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call mpi_print('zmq_get_dvector selection_weight')
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IRP_ENDIF
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'selection_weight',selection_weight,N_states) == -1) cycle
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pt2_e0_denominator(1:N_states) = energy(1:N_states)
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pt2_e0_denominator(1:N_states) = energy(1:N_states)
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TOUCH pt2_e0_denominator state_average_weight threshold_generators
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TOUCH pt2_e0_denominator state_average_weight threshold_generators selection_weight
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if (mpi_master) then
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if (mpi_master) then
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print *, 'N_det', N_det
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print *, 'N_det', N_det
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@ -127,6 +131,7 @@ subroutine run_slave_main
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print *, 'pt2_e0_denominator', pt2_e0_denominator
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print *, 'pt2_e0_denominator', pt2_e0_denominator
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print *, 'pt2_stoch_istate', pt2_stoch_istate
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print *, 'pt2_stoch_istate', pt2_stoch_istate
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print *, 'state_average_weight', state_average_weight
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print *, 'state_average_weight', state_average_weight
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print *, 'selection_weight', selection_weight
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endif
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endif
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call wall_time(t1)
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call wall_time(t1)
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call write_double(6,(t1-t0),'Broadcast time')
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call write_double(6,(t1-t0),'Broadcast time')
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