LCPQ/qp2
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Merge branch 'bugfix' into dev

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This commit is contained in:
Anthony Scemama 2019-11-19 19:02:53 +01:00
commit b9c828b6a1
2 changed files with 10 additions and 4 deletions
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7
configure vendored
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@ -3,9 +3,6 @@
# Quantum Package configuration script
#
unset CC
unset CXX
TEMP=$(getopt -o c:i:h -l config:,install:,help -n $0 -- "$@") || exit 1
eval set -- "$TEMP"
@ -14,6 +11,10 @@ echo "QP_ROOT="$QP_ROOT
unset CC
unset CCXX
# Force GCC instead of ICC for dependencies
export CC=gcc
# When updating version, update also etc files
BATS_URL="https://github.com/bats-core/bats-core/archive/v1.1.0.tar.gz"

7
src/cipsi/slave_cipsi.irp.f
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@ -117,8 +117,12 @@ subroutine run_slave_main
call mpi_print('zmq_get_dvector state_average_weight')
IRP_ENDIF
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) cycle
IRP_IF MPI_DEBUG
call mpi_print('zmq_get_dvector selection_weight')
IRP_ENDIF
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'selection_weight',selection_weight,N_states) == -1) cycle
pt2_e0_denominator(1:N_states) = energy(1:N_states)
TOUCH pt2_e0_denominator state_average_weight threshold_generators
TOUCH pt2_e0_denominator state_average_weight threshold_generators selection_weight
if (mpi_master) then
print *, 'N_det', N_det
@ -127,6 +131,7 @@ subroutine run_slave_main
print *, 'pt2_e0_denominator', pt2_e0_denominator
print *, 'pt2_stoch_istate', pt2_stoch_istate
print *, 'state_average_weight', state_average_weight
print *, 'selection_weight', selection_weight
endif
call wall_time(t1)
call write_double(6,(t1-t0),'Broadcast time')