mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-14 18:13:51 +01:00
38 lines
900 B
Fortran
38 lines
900 B
Fortran
BEGIN_PROVIDER [ integer, n_iter ]
|
|
implicit none
|
|
BEGIN_DOC
|
|
! number of iterations
|
|
END_DOC
|
|
|
|
logical :: has
|
|
PROVIDE ezfio_filename
|
|
if (mpi_master) then
|
|
|
|
double precision :: zeros(N_states,100)
|
|
integer :: izeros(100)
|
|
zeros = 0.d0
|
|
izeros = 0
|
|
call ezfio_set_iterations_n_iter(0)
|
|
call ezfio_set_iterations_energy_iterations(zeros)
|
|
call ezfio_set_iterations_pt2_iterations(zeros)
|
|
call ezfio_set_iterations_n_det_iterations(izeros)
|
|
n_iter = 1
|
|
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_iter, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
|
|
if (ierr /= MPI_SUCCESS) then
|
|
stop 'Unable to read n_iter with MPI'
|
|
endif
|
|
IRP_ENDIF
|
|
|
|
call write_time(6)
|
|
|
|
END_PROVIDER
|
|
|