Getting only zeros my Fortran Runge-Kutta - fortran

Ok, so I'm trying to solve an initial value problem, trying to find the velocity given by the f function using Runge-Kutta 2. My program compiles, but when I run it gives me the same value for v at any time, but I just can't find where I'm doing it wrong. Could somebody help me?
program runge
implicit none
real(8) :: f,t,y,g,v,c1
real(8) a,b,h
real(8) k1,k2,l1,l2,v0,gr,m
integer i,n,j
n=10
a=0
b=100
h=(b-a)/n
gr=9.8100
m=70.0
c1=15.0
v0=20.0
y=0.0
v=v0
t=a
open(1, file="velocidad.txt")
write(1,*) a,v
print*, " t", " v"
do i=1,n
k1 = f(t,v)
k2 = f(t + h, v + h*k1)
v = v + h*(k1 + k2)/2
t = a + i*h
write(1,*) t, v
print*, t, v
end do
close(1)
end program runge
real(8) function f(t,y)
implicit none
real(8) :: t,y,c1,gr,v,m
f = -(gr)-((c1/m)*v)
end function f
when I run it i get and output like this:
t v
10.000000000000000 20.000000000000000
20.000000000000000 20.000000000000000
30.000000000000000 20.000000000000000
40.000000000000000 20.000000000000000
50.000000000000000 20.000000000000000
60.000000000000000 20.000000000000000
70.000000000000000 20.000000000000000
80.000000000000000 20.000000000000000
90.000000000000000 20.000000000000000
100.00000000000000 20.000000000000000

I think your issue lies in your function f, specifically in this line:
f = -(gr)-((c1/m)*v)
The function has its own scope, that is that none of the variables that you have assigned a value to in your main program are accessible to the function, instead it has its own variables gr, c1, and m. Only t and y are passed to it, but the result of the function is still too small to register any meaningful change in v. (When I run your code, the results of f are in the order of -2e-314, but since you never initialise the variables inside the function, your values may differ.)
As for what you can do:
Move the initialisation of gr, c1, and m into the function. These values seem not to change anyway.
Move the whole function into the main program, and remove the explicit declaration of gr, c1, and m from the function. That way it will look for the variables in the parent's scope:
program runge
...
end do
close(1)
contains
real(8) function f(t, y)
implicit none
real(8) :: t, y
f = -(gr)-((c1/m)*v)
end function f
end program runge
Note that there is no declaration of gr, c1, m, or v inside the function.
Put the function and the variables that it depends on into a module:
module my_mod
implicit none
real(8) gr, c1, m, v
contains
real(8) function f(t, y)
...
end function
end module
program runge
use my_mod
implicit none
gr = 9.81
...
end program
Note that here, there is no declaration of gr etc in the main program, as those variables are supplied by the module.
There are a lot of other issues, here are just a few examples:
Your function has dummy variables t and y but never actually uses them
You open a file on unit 1, which might interfere with other i/o, depending on your compiler. I only use units > 10, or even better, declare a integer for my unit and use open(newunit=myunit, file=....) for the open, then read and write with read(myunit, ... and write(myunit, ...
Your use of real(8) is not compiler independent. Better would be something like this:
program runge
use iso_fortran_env
implicit none
real(real64) :: gr
...
But that wasn't the question here, so I'll leave it out.

Related

Should the use of the INTENT keyword speed the code up?

This question is based on an answer to the post Fortran intent(inout) versus omitting intent, namely the one by user Vladimyr, #Vladimyr.
He says that "<...> Fortran copies that data into a contiguous section of memory, and passes the new address to the routine. Upon returning, the data is copied back into its original location. By specifying INTENT, the compiler can know to skip one of the copying operations."
I did not know this at all, I thought Fortran passes by reference exactly as C.
The first question is, why would Fortran do so, what is the rationale behind this choice?
As a second point, I put this behaviour to the test. If I understood correctly, use of INTENT(IN) would save the time spent in copying back the data to th original location, as the compiler is sure the data has not been changed.
I tried this little piece of code
function funco(inp) result(j)
!! integer, dimension(:), intent (in) :: inp
integer, dimension(:):: inp
integer, dimension(SIZE(inp)) :: j ! output
j = 0.0 !! clear whole vector
N = size(inp)
DO i = 1, N
j(i) = inp(i)
END DO
end function
program main
implicit none
interface
function funco(inp) result(j)
!! integer, dimension(:), intent (in) :: inp
integer, dimension(:) :: inp
integer, dimension(SIZE(inp)) :: j ! output
end function
end interface
integer, dimension(3000) :: inp , j
!! integer, dimension(3000) :: funco
integer :: cr, cm , c1, c2, m
real :: rate, t1, t2
! Initialize the system_clock
CALL system_clock(count_rate=cr)
CALL system_clock(count_max=cm)
CALL CPU_TIME(t1)
rate = REAL(cr)
WRITE(*,*) "system_clock rate ",rate
inp = 2
DO m = 1,1000000
j = funco(inp) + 1
END DO
CALL SYSTEM_CLOCK(c2)
CALL CPU_TIME(t2)
WRITE(*,*) "system_clock : ",(c2 - c1)/rate
WRITE(*,*) "cpu_time : ",(t2-t1)
end program
The function copies an array, and in the main body this is repeated many times.
According to the claim above, the time spent in copying back the array should somehow show up.
system_clock rate 1000.00000
system_clock : 2068.07910
cpu_time : 9.70935345
but the results are pretty much the same independently from whether INTENT is use or not.
Could anybody share some light on these two points, why does Fortran performs an additional copy (which seems ineffective at first, efficiency-wise) instead of passing by reference, and does really INTENT save the time of a copying operation?
The answer you are referring to speaks about passing some specific type of subsection, not of the whole array. In that case a temporary copy might be necessary, depending on the function. Your function uses and assumed shape array and a temporary array will not be necessary even if you try quite hard.
An example of what the author (it wasn't me) might have had in mind is
module functions
implicit none
contains
function fun(a, n) result(res)
real :: res
! note the explicit shape !!!
integer, intent(in) :: n
real, intent(in) :: a(n, n)
integer :: i, j
do j = 1, n
do i = 1, n
res = res + a(i,j) *i + j
end do
end do
end function
end module
program main
use functions
implicit none
real, allocatable :: array(:,:)
real :: x, t1, t2
integer :: fulln
fulln = 400
allocate(array(1:fulln,1:fulln))
call random_number(array)
call cpu_time(t1)
x = fun(array(::2,::2),(fulln/2))
call cpu_time(t2)
print *,x
print *, t2-t1
end program
This program is somewhat faster with intent(in) when compared to intent(inout) in Gfortran (not so much in Intel). However, it is even much faster with an assumed shape array a(:,:). Then no copy is performed.
I am also getting some strange uninitialized accesses in gfortran when running without runtime checks. I do not understand why.
Of course this is a contrived example and there are real cases in production programs where array copies are made and then intent(in) can make a difference.

Procedural pointer in fortran

Let us say I have the following abstract interface to a double precision function of single argument
module abstract
abstract interface
function dp_func (x)
double precision, intent(in) :: x
double precision :: dp_func
end function dp_func
end interface
end module abstract
In a different module I define two functions, a simple one g of the type dp_func and a more complicated one f
module fns
contains
double precision function f(a,b,x)
double precision, intent(in)::a,b,x
f=(a-b)*x
end function f
double precision function g(x)
double precision, intent(in)::x
g=x**2
end function g
end module fns
Now a pointer to g can be created as follows
program main
use abstract,fns
procedure(dp_func), pointer :: p
double precision::x=1.0D0, myA=1.D2, myB=1.D1, y
p => g
y=p(x)
end program main
But how one can create a pointer to f(myA,myB,x), i.e., to f at fixed values of a and b, which can be regarded as a function of just 1 parameter, that is, of the dp_func type?
At the end result I want to be able to write something like
p=>f(myA, myB, )
y=p(x)
Comments below suggest that function closure is not a part of fortran standard and that a wrapper function would be a possible solution to it. However, the wrapper must be initialized and this introduces some chances that end user may forget to call the initializer. How one can do it in a clean and transparent way?
EDIT
After posting this question and googling with "closure and fortran", I found this example
which I present in picture form to emphasize the highlighting. This was presented in an online course. But I doubt such implicit parameter setting is a good programming practice. In fact, dangling variables like z in this example are perfect sources of errors!
You can use internal functions to wrap your functions, e.g.
program main
use abstract
use fns
implicit none
procedure(dp_func), pointer :: p
double precision :: x, myA, myB, y
x = 1.0D0
myA = 1.D2
myB = 1.D1
p => g
y=p(x)
p => f2
y = p(x) ! Calls f(1.D2, 1.D1, x)
myA = 1.D3
myB = 1.D2
y = p(x) ! Calls f(1.D3, 1.D2, x)
contains
double precision function f2(x)
double precision, intent(in) :: x
write(*,*) myA, myB
f2 = f(myA,myB,x)
end function
end program main
An internal function in a given scope can use variables from that scope, so they can act like closures.
The implicit use of myA and myB in the internal function f2 may well be a source of programming error, but, provided the scope of f2 is still in scope, this behaviour is identical to lambda functions in other languages, for example the equivalent python lambda:
f2 = lambda x: f(myA,myB,x)
As pointed out by #vladimirF, once the scope of f2 drops out of scope (e.g. if a pointer to f2 is stored and the procedure where f2 is declared returns) any pointers to f2 will become invalid. This can be seen in this code:
module bad
use abstract
use fns
implicit none
contains
function bad_pointer() result(output)
procedure(dp_func), pointer :: output
double precision :: myA,myB
myA = 1.D2
myB = 1.D1
output => f2
contains
double precision function f2(x)
double precision, intent(in) :: x
write(*,*) myA, myB
f2 = f(myA,myB,x)
end function
end function
end module
program main
use abstract
use fns
use bad
implicit none
procedure(dp_func), pointer :: p
double precision :: y,x
p => bad_pointer()
x = 1.D0
y = p(x)
end program
N.B. the above code may well run fine for this simple case, but it's relying on undefined behaviour so shouldn't be used.
You stated the following:
"...However, the wrapper must be initialized and this introduces some chances that end user may forget to call the initializer. How one can do it in a clean and transparent way?..."
The following might be a solution.
It still needs to be initialized but will throw errors if the user hasn't done so.
I defined a type closure which handles the function pointers.
! file closure.f90
module closure_m
implicit none
type closure
private
procedure(f1), pointer, nopass :: f1ptr => null()
procedure(f3), pointer, nopass :: f3ptr => null()
real :: a, b
contains
generic :: init => closure_init_f1, closure_init_f3
!! this way by calling obj%init one can call either of the two closure_init_fX procedures
procedure :: exec => closure_exec
procedure :: closure_init_f1, closure_init_f3
end type
abstract interface
real function f1(x)
real, intent(in) :: x
end function
real function f3(a, b, x)
real, intent(in) :: a, b, x
end function
end interface
contains
subroutine closure_init_f1(this, f)
class(closure), intent(out) :: this
procedure(f1) :: f
this%f1ptr => f
this%f3ptr => null()
end subroutine
subroutine closure_init_f3(this, f, a, b)
class(closure), intent(out) :: this
procedure(f3) :: f
real, intent(in) :: a, b
this%f1ptr => null()
this%f3ptr => f
this%a = a
this%b = b
end subroutine
real function closure_exec(this, x) result(y)
class(closure), intent(in) :: this
real, intent(in) :: x
if (associated(this%f1ptr)) then
y = this%f1ptr(x)
else if (associated(this%f3ptr)) then
y = this%f3ptr(this%a, this%b, x)
else
error stop "Initialize the object (call init) before computing values (call exec)!"
end if
end function
end module
Concerning the lines class(closure), intent(out) :: this:
This is the standard way of writing initializers for Fortran types.
Note that it is class instead of type which makes this polymorphic as is needed for type-bound procedures.
I slightly adjusted your functions module (changed data types)
! file fns.f90
module fns_m
contains
real function f(a, b, x)
real, intent(in) :: a, b, x
f = (a-b)*x
end function
real function g(x)
real, intent(in) :: x
g = x**2
end function
end module
An example program
! file a.f90
program main
use closure_m
use fns_m
implicit none
type(closure) :: c1, c2
call c1%init(g)
print *, c1%exec(2.0)
call c1%init(f, 1.0, 2.0)
print *, c1%exec(2.0)
call c2%init(f, 1.0, -2.0)
print *, c2%exec(3.0)
end program
Example output
$ gfortran closure.f90 fns.f90 a.f90 && ./a.out
4.00000000
-2.00000000
9.00000000

Calling a subroutine which calls a two-variable function in which one is fixed

I have a main program that can assign values to two variables, x and y. I also have a function subprogram defining, for example, f(x,y) = x*y. I also have a function subprogram that returns the value of the integral of a one-variable function given its delimiters.
I do not want the double integration of f(x,y), I want a simple integration in one of the variables, e.g. y, when I have assigned a fixed value to the other, e.g. x.
So, in the main program, x can have the value 5, and then it calls the function "integral(f, 0, 1)" to integrate f(5,y) = 5*x from y = 0 to y = 1, returning the result as a real variable.
I have these options:
a) create another function defining f(z) = 5*z, and use the integral function to calculate the integral. This is not so good, since I might like to assign another value to x, and this would imply the creation of as many new functions as I might need to attribute a new value to x.
b) I can create a module containing the newer function f(z) sharing the x-value with the main program and the integral function so that I can assign any value to x in the main program, which will be automatically recognized by the function f(z), which in turns will be used as external in the integral function.
c) use the old common statement, that works just like the module in option "b".
My question: Is there any other alternative, maybe a better one?
The option "b" is shown below:
MODULE module_test
IMPLICIT NONE
REAL :: x
CONTAINS
REAL FUNCTION func(z)
REAL :: z, f
func = f(x,z)
END FUNCTION func
END MODULE module_test
PROGRAM main
USE module_test
IMPLICIT NONE
REAL :: y, int_value, integral
x = 5.
int_value = integral(func, 0, 1)
PRINT*, int_value
END PROGRAM main
REAL FUNCTION f(x,y)
IMPLICIT NONE
REAL, INTENT(IN) :: x, y
f = x*y
END FUNCTION f
REAL FUNCTION integral(fun, a, b)
USE module_test
IMPLICIT NONE
REAL, INTENT(IN) :: a, b
REAL, EXTERNAL :: fun
REAL :: t
=== CODE FOR INTEGRATION OF "FUN" FROM "t = a" TO "t = b" HERE ===
END FUNCTION integral

Passing additional arguments in Newton’s method in Fortran

I am having trouble in implementing an approach to call Newton's method in a Fortran program.
So I want to use Newton's method to solve an equation following the link
However, my program is slightly different with the example above. In my case, the equation requires some additional information which are produced during runtime.
subroutine solve(f, fp, x0, x, iters, debug)
which means the f is calculated not only based on x, but also a few other variables (but x is the unknown).
I have a solution, which only works for a simple case:
I used a module to include Newton's solver. I also defined a derived data type to hold all the arguments inside the module. It works good now.
My question is: I need to call the Newton's method many times, and each time the arguments are different. How should I design the structure of the modules? Or should I use a different solution?
I provided a simple example below:
module solver
type argu
integer :: m
end type argu
type(argu):: aArgu_test !should I put here?
contains
subroutine solve(f, fp, x0, x, iters, debug)
...
!m is used inside here
end subroutine solve
subroutine set_parameter(m_in)
aArgu%m = m_in
end subroutine set_parameter()
end module solver
And the calling module is:
!only one set of argument, but used many times
module A
use module solver
do i = 1, 4, 1
set_parameter(i)
!call Newtow method
...
enddo
end module A
!can I use an array for argu type if possible?
module B
use module solver
type(argu), dimension(:), allocable :: aArgu ! or should I put here or inside solver module?
end module B
My understanding is that if I put the argu object inside the solver module, then all solver calling will use the same arguments (I can still save all of them inside module A using the above method). In that case, I have to update the arguments during each for loop?
Because the program runs using MPI/OpenMP, I want to make sure there is no overwritten among threads.
Thank you.
There is a common pattern in modern Fortran for the problem you are facing (partial function application). Unlike other languages, Fortran doesn't have function closures, so making a lexical scope for a function is a little "convoluted" and kind of limited.
You should really consider revisiting all the links #VladmirF shared on the comment, most of them apply straightforwardly to your case. I will give you an example of a solution.
This is a solution without using a wrapper type. I will use a feature included in Fortran 2008 standard: passing an internal procedure as an argument. It is compatible with the latest gfortran, Intel and many others.
If you can't access a compiler with this feature or if you prefer a solution with a derived type, you can refer to this answer.
module without_custom_type
use, intrinsic :: iso_fortran_env, only: r8 => real64
use :: solver
contains
subroutine solve_quad(a, b, c, x0, x, iters, debug)
integer, intent(in) :: a, b, c
real(r8), intent(in) :: x0
real(r8), intent(out) :: x
integer, intent(out) :: iters
logical, intent(in) :: debug
call solve(f, fp, x0, x, iters, debug)
contains
real(r8) function f(x)
real(r8),intent(in) :: x
f = a * x * x + b * x + c
end
real(r8) function fp(x)
real(r8),intent(in) :: x
fp = 2 * a * x + b
end
end
end
The rationale of this code is: as f and fp lay inside of the solve_quad procedure, they have access to the arguments a, b and c by host association, without touching those function's signatures. The resulting effect is like changing the arity of the function.
Testing it with gfortran 8.0 and the solver implementation from the link you shared, I got this:
program test
use, intrinsic :: iso_fortran_env, only: r8 => real64
use :: without_custom_type
implicit none
real(r8) :: x, x0
integer :: iters
integer :: a = 1, b = -5, c = 4
x0 = 0
call solve_quad(a, b, c, x0, x, iters, .false.)
print *, x, iters
! output: 1.0000000000000000, 5
x0 = 7
call solve_quad(a, b, c, x0, x, iters, .false.)
print *, x, iters
! output: 4.0000000000000000, 6
end
After discussing with a colleague, I have a solution to my question 2.
If we have only one argument object for the solver module, then all the calling will access the same arguments because they share the same memory space.
To avoid this, we want to pass the argument object as an argument into the solver.
So instead of using the default solver subroutine, we will re-write the Newton's method so it can accept additional argument.
(I used the simplest Newton subroutine earlier because I wanted to keep it untouched.)
In this way, we will define an array of argument objects and pass them during runtime.
Thank you for the comments.

Reading function from a file in Fortran 90

I have an optimization solver in Fortran 90. So, if I want to change the objective function
I have to modified the main file and write the objective function in this way:
subroutine fobj(n,x,f)
implicit none
integer :: n
real(8) :: f
real(8) :: x(n)
intent(in ) :: n,x
intent(out) :: f
!OBJECTIVE FUNCTION
f = x(1)**2-x(2)+2*x(3)
end subroutine fobj
I have a big objective function, so I want to call this line "f = x(1)**2-x(2)+2*x(3)" from an external file or at least the subrutine.
Is that possible? (I'm new in Fortran.)
I know that I can modified the file with Python, but I want to do it in other file.
Thanks a lot!
Sure. Use:
include 'file.inc'
to include source code from an external file.
I'm not sure if this is what you're looking for, but:
Fortran also allows you to pass subroutine/function names around as actual arguments to subroutine/function calls. The corresponding dummy arguments must have the "external" attribute.
subroutine fobj(n,x,f,func)
implicit none
integer :: n
real(8),external :: func
real(8) :: f
real(8) :: x(n)
intent(in ) :: n,x
intent(out) :: f
!OBJECTIVE FUNCTION
f=func(x,n)
end subroutine fobj
function func1(x,n)
implicit none
real(8) func1
integer n
real(8) :: f,x(n)
f = x(1)**2-x(2)+2*x(3)
end function func1
function func2(x,n)
implicit none
real(8) func2
integer n
real(8) :: f,x(n)
f = x(1)**2+x(2)+2*x(3)
end function func2
program main
real(8),external :: func1,func2
real(8),allocatable :: x(:)
real(8) :: f
integer n
n=50
allocate(x(n))
x=10. !Set X to a known value
call fobj(n,x,f,func1) !Call func1
print*,f !10**2-10+2*10 = 110
x=10. !Reset X ... just to make sure there is no funny business in func1,func2
call fobj(n,x,f,func2) !Call func2
print*,f !10**2+10+2*10 = 130
deallocate(x)
end program main
Of course, this program does nothing useful other than call func1 and func2 in obscure ways, but hopefully it illustrates the point. If you're looking to switch out the function at compile-time, then I think a include "myfile" is probably cleaner (just switching which file you're including at the time as suggested by #AlejandroLL)
You might also try to use Modules in your program. Sometimes when you pass special variables to your subroutines/functions you need to write interfaces for them. Using modules will improve your program structure and you'll be more effective and all interfaces would be generated automatically.