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qp2/src/davidson/input.irp.f

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2019-01-25 11:39:31 +01:00
BEGIN_PROVIDER [ integer, n_states_diag ]
implicit none
BEGIN_DOC
! Number of states to consider during the Davdison diagonalization
END_DOC
logical :: has
PROVIDE ezfio_filename
if (mpi_master) then
call ezfio_has_davidson_n_states_diag(has)
if (has) then
call ezfio_get_davidson_n_states_diag(n_states_diag)
else
print *, 'davidson/n_states_diag not found in EZFIO file'
stop 1
endif
n_states_diag = max(N_states, N_states_diag)
endif
IRP_IF MPI_DEBUG
print *, irp_here, mpi_rank
call MPI_BARRIER(MPI_COMM_WORLD, ierr)
IRP_ENDIF
IRP_IF MPI
include 'mpif.h'
integer :: ierr
call MPI_BCAST( n_states_diag, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
if (ierr /= MPI_SUCCESS) then
stop 'Unable to read n_states_diag with MPI'
endif
IRP_ENDIF
call write_time(6)
if (mpi_master) then
write(6, *) 'Read n_states_diag'
endif
END_PROVIDER