quantum_package/src/Ezfio_files/output.irp.f

103 lines
2.8 KiB
Fortran

BEGIN_PROVIDER [ double precision, output_wall_time_0 ]
&BEGIN_PROVIDER [ double precision, output_cpu_time_0 ]
implicit none
BEGIN_DOC
! Initial CPU and wall times when printing in the output files
END_DOC
call cpu_time(output_wall_time_0)
call wall_time(output_wall_time_0)
END_PROVIDER
BEGIN_SHELL [ /bin/bash ]
for NAME in $(\ls -d ${QP_ROOT}/src/*/)
do
NAME=$(basename ${NAME})
cat << EOF
BEGIN_PROVIDER [ integer, output_$NAME ]
implicit none
BEGIN_DOC
! Output file for $NAME
END_DOC
PROVIDE output_wall_time_0 output_cpu_time_0 ezfio_filename
! integer :: getUnitAndOpen
! call ezfio_set_output_empty(.False.)
IRP_IF COARRAY
if (this_image() == 1) then
output_$NAME = 6 !getUnitAndOpen(trim(ezfio_filename)//'/output/'//'$NAME.rst','a')
else
output_$NAME = getUnitAndOpen('/dev/null','w')
endif
IRP_ELSE
output_$NAME = 6 !getUnitAndOpen(trim(ezfio_filename)//'/output/'//'$NAME.rst','a')
IRP_ENDIF
write(output_$NAME,'(A)') &
'--------------------------------------------------------------------------------'
END_PROVIDER
EOF
done
END_SHELL
subroutine write_time(iunit)
implicit none
BEGIN_DOC
! Write a time stamp in the output for chronological reconstruction
END_DOC
integer, intent(in) :: iunit
double precision :: wt, ct
call cpu_time(ct)
call wall_time(wt)
write(iunit,*)
write(iunit,'(A,F15.6,A,F15.6,A)') &
'.. >>>>> [ WALL TIME: ', wt-output_wall_time_0, &
' s ] [ CPU TIME: ', ct-output_cpu_time_0, ' s ] <<<<< ..'
write(iunit,*)
end
subroutine write_double(iunit,value,label)
implicit none
BEGIN_DOC
! Write a double precision value in output
END_DOC
integer, intent(in) :: iunit
double precision :: value
character*(*) :: label
character*(64), parameter :: f = '(A50,G24.16)'
character*(50) :: newlabel
write(newlabel,'(A,A)') '* ',trim(label)
write(iunit,f) newlabel, value
end
subroutine write_int(iunit,value,label)
implicit none
BEGIN_DOC
! Write an integer value in output
END_DOC
integer, intent(in) :: iunit
integer :: value
character*(*) :: label
character*(64), parameter :: f = '(A50,I16)'
character*(50) :: newlabel
write(newlabel,'(A,A)') '* ',trim(label)
write(iunit,f) newlabel, value
end
subroutine write_bool(iunit,value,label)
implicit none
BEGIN_DOC
! Write an logical value in output
END_DOC
integer, intent(in) :: iunit
logical :: value
character*(*) :: label
character*(64), parameter :: f = '(A50,L1)'
character*(50) :: newlabel
write(newlabel,'(A,A)') '* ',trim(label)
write(iunit,f) newlabel, value
end