fortran77 to fortran90 differences in output - fortran

I have downloaded the following fortran program dragon.f at http://www.iamg.org/documents/oldftp/VOL32/v32-10-11.zip
I need to do a minor modification to the program which requires the program to be translated to fortran90 (see below to confirm if this is truly needed).
I have managed to do this (translation only) by three different methods:
replacing comment line indicators (c for !) and line continuation
indicators (* in column 6 for & at the end of last line)
using convert.f90 (see https ://wwwasdoc.web.cern.ch/wwwasdoc/WWW/f90/convert.f90)
using f2f.pl (see https :// bitbucket.org/lemonlab/f2f/downloads)
Both 1) and 3) worked (i.e. managed to compile program) while 2) didn't work straight away.
However, after testing the program I found that the results are different.
With the fortran77 program, I get the "expected" results for the example provided with the program (the program comes with an example data "grdata.txt", and its example output "flm.txt" and "check.txt"). However, after running the translated (fortran90) program the results I get are different.
I suspect there are some issues with the way some variables are declared.
Can you give me recommendations in how to properly translate this program so I get the exact same results?
The reason I need to do it in fortran90 is because I need to input the parameters via a text file instead of modifying the program. This shouldnt be an issue for most of the parameters involved, except for the declaration of the last one, in which the size is determined from parameters that the program does not know a priori (see below):
implicit double precision(a-h,o-z)
parameter(lmax=90,imax=45,jmax=30)
parameter(dcta=4.0d0,dfai=4.0d0)
parameter(thetaa=0.d0,thetab=180.d0,phaia=0.d0,phaib=120.d0)
dimension f(0:imax,0:jmax),coe(imax,jmax,4),coew(4),fw(4)
So for example, I will read lmax, imax, jmax, dcta, dfai, thetaa, thetab, phaia, and phaib and the program needs to declare f and coe but as far as I read after googling this issue, they cannot be declared with an unknown size in fortran77.
Edit: This was my attempt to do this modification:
character fname1*100
call getarg(1,fname1)
open(10,file=fname1)
read(10,*)lmax,imax,jmax,dcta,dfai,thetaa,thetab,phaia,phaib
close(10)
So the program will read these constants from a file (e.g. params.txt), where the name of the file is supplied as an argument when invoking the program. The problem when I do this is that I do not know how to modify the line
dimension f(0:imax,0:jmax)...
in order to declare this array when the values imax and jmax are not known when compiling the program (they depend on the size of the data that the user will use).

As has been pointed out in the comments above, parameters cannot be read from file since they are set at compile time. Read them in as integer, declare the arrays as allocatable, and then allocate.
integer imax,jmax
real(8), allocatable :: f(:,:),coe(:,:,:)
read(10,*) imax,jmax
allocate(f(0:imax,0:jmax),coe(imax,jmax,4))

I found out that the differences in the results were attributed to using different compilers.
PS I ended up adding a lot more code than I intended at the beginning to allow reading data from netcdf files. This program in particular is really helpful for spherical harmonic expansion. [tag:spherical harmonics]

Related

FFTW in Fortran result contains only zeros

I have been trying to write a simple program to perform an fft on a 1D input array using fftw3. Here I am using a seismogram as an input. The output array is, however, coming out to contain only zeroes.
I know that the input is correct as I have tried doing the fft of the same input file in MATLAB as well, which gives correct results. There is no compilation error. I am using f95 to compile this, however, gfortran was also giving pretty much the same results. Here is the code that I wrote:-
program fft
use functions
implicit none
include 'fftw3.f90'
integer nl,row,col
double precision, allocatable :: data(:,:),time(:),amplitude(:)
double complex, allocatable :: out(:)
integer*8 plan
open(1,file='test-seismogram.xy')
nl=nlines(1,'test-seismogram.xy')
allocate(data(nl,2))
allocate(time(nl))
allocate(amplitude(nl))
allocate(out(nl/2+1))
do row = 1,nl
read(1,*,end=101) data(row,1),data(row,2)
amplitude(row)=data(row,2)
end do
101 close(1)
call dfftw_plan_dft_r2c_1d(plan,nl,amplitude,out,FFTW_R2HC,FFTW_PATIENT)
call dfftw_execute_dft_r2c(plan, amplitude, out)
call dfftw_destroy_plan(plan)
do row=1,(nl/2+1)
print *,out(row)
end do
deallocate(data)
deallocate(amplitude)
deallocate(time)
deallocate(out)
end program fft
The nlines() function is a function which is used to calculate the number of lines in a file, and it works correctly. It is defined in the module called functions.
This program pretty much tries to follow the example at http://www.fftw.org/fftw3_doc/Fortran-Examples.html
There might just be a very simple logical error that I am making, but I am seriously unable to figure out what is going wrong here. Any pointers would be very helpful.
This is pretty much how the whole output looks like:-
.
.
.
(0.0000000000000000,0.0000000000000000)
(0.0000000000000000,0.0000000000000000)
(0.0000000000000000,0.0000000000000000)
(0.0000000000000000,0.0000000000000000)
(0.0000000000000000,0.0000000000000000)
.
.
.
My doubt is directly regarding fftw, since there is a tag for fftw on SO, so I hope this question is not off topic
As explained in the comments first by #roygvib and #Ross, the plan subroutines overwrite the input arrays because they try the transform many times with different parameters. I will add some practical use considerations.
You claim you do care about performance. Then there are two possibilities:
You do the transform only once as you show in your code. Then there is no point to use FFTW_MEASURE. The planning subroutine is many times slower than actual plan execute subroutine. Use FFTW_ESTIMATE and it will be much faster.
FFTW_MEASURE tells FFTW to find an optimized plan by actually
computing several FFTs and measuring their execution time. Depending
on your machine, this can take some time (often a few seconds).
FFTW_MEASURE is the default planning option.
FFTW_ESTIMATE specifies that, instead of actual measurements of
different algorithms, a simple heuristic is used to pick a (probably
sub-optimal) plan quickly. With this flag, the input/output arrays are
not overwritten during planning.
http://www.fftw.org/fftw3_doc/Planner-Flags.html
You do the same transform many times for different data. Then you must do the planning only once before the first transform and than re-use the plan. Just make the plan first and only then you fill the array with the first input data. Making the plan before every transport would make the program extremely slow.

Fortran how to write non-zero elements

I am trying to debug a huge program not written by me by writing out a large selection of the variables into text files. Some are arrays and some are single values.
The arrays were declared with huge initial sizes due to the code being incomplete and people didn't want to use the allocation method as no one knew how many more things would be added to the code. As a result, if I just straight up print out the entire variable, it would also print out the millions of zeros which I don't need and make the file much larger than necessary.
I searched for a way to write out non-zero elements and another post here had answers pointing to the pack() function.
However, pack() seems to have a size limit since visual studio would not even go into the lines that actually calls pack - visual studio would enter chkstk.asm upon entering the subroutine that writes the variables and return a stack overflow error before executing any of the lines inside the subroutine (the first few lines in the subroutine are just opening file and writing non-array variables).
So, what else can I do to write out all the non-zero elements inside these huge arrays?
The beginning of the subroutine is shown below:
subroutine write_everything(fileIDa,fileNamea,fileIDb,fileNameb)
use flags
use const
use mphase_props_v
use sample_props_v
use grain_props_v
use mphase_state_v
use grain_state_v
use mphase_rate_v
use grain_rate_v
use sample_state_v
use sample_rate_v
use twinning_v
use hard_law1_v
use back_stress_v
use phase_transf_v
use bc_v
use diffract_v
use output_v
use YS_v
use epsc_var
integer, intent(in) :: fileIDa,fileIDb
character(len=40), intent(in) :: fileNamea,fileNameb
1 format(1h,78('*'))
open(unit=fileIDa,file=fileNamea,status='unknown')
write(fileIDa,'(''flags'')')
write(fileIDa,1)
write(fileIDa,*) ishape,irot,ipileup,kSM,iPoleFigFlag,i_diff_dir
# ,iDiag,kCL,iSingleCry,iTwinLaw,i_prev_proc,iDetwOpt,iDtwMfp
# ,ilatBS,iBackStress,iPhTr,itwinning,iOutput,itexskip,nCoatedPh
# ,nCoatingPh,ivarBC,inonSch
write(fileIDa,'(''mphase_props_v'')')
write(fileIDa,1)
write(fileIDa,*) pack(nsm,nsm.ne.0),pack(itw,itw.ne.0)
# ,pack(nmodes,nmodes.ne.0),pack(nsys,nsys.ne.0)
# ,pack(nslmod,nslmod.ne.0),pack(nslsys,nslsys.ne.0)
# ,pack(ntwmod,ntwmod.ne.0),pack(ntwsys,ntwsys.ne.0)
# ,pack(nphngr,nphngr.ne.0),pack(icrysym,icrysym.ne.0)
# ,pack(ISECTW,ISECTW.ne.0),pack(ngrnph,ngrnph.ne.0)
Some of the array is of size 10, but some others are size 10000 and even 50 by 10000.
Note before I used pack the program writes the variables just fine, except the file is too large (780 MB) that neither Microsoft word nor notepad++ would open them and I need the compare functions from these programs so I can't just open them with regular notepad. I stopped short of splitting them into two files and decided to try to remove all the zeros.
Following the suggestions from the comments, I set heap array to 0 and although visual studio still goes into chkstk.asm it no longer returns error and pack() writes out non-zero elements just fine.

Difference between write(*,*) and write(6,*) in Fortran

I know this may sound like a stupid question: is there any difference between
write(*,*)
and
write(6,*)
?
I am running a complicated code on the supercomputer in my institute which outputs a data file via a unit number different than 6, and apparently the Fortran code compiled with the ONLY difference being the above code gives me a different data file (i.e., data do not match).
I know the (*,*) format goes to standard output, while the (6,*) renders on screen, however I am really confused by why this has any effect on my actual data. Any ideas about how this works would be appreciated!
The unit denoted by * is the "standard output" (not a true Fortran standard term). It is usually pre-connected as unit number 6, but it can be connected to a different one - compiler options control that. You can check this using the constant OUTPUT_UNIT in the module iso_fortran_env
OUTPUT_UNIT:
Identifies the preconnected unit identified by the asterisk (*) in WRITE statement.
(from gfortran documentation)
Most often the results can be expected to be the same for both. If it is not your case, you have to show as what the differences look like.
If you use some other unit number and you opened it yourself in your own code, anything can happen. You must check the options you used when opening the file, i.e. the open statement and the compiler options in place.

Intel Fortran error "allocatable array or pointer is not allocated"

When I tried to run a huge Fortran code (the code is compiled using Intel compiler version 13.1.3.192), it gave me error message like this:
...
Info[FDFI_Setup]: HPDF code version number is 1.00246
forrtl: severe (153): allocatable array or pointer is not allocated
Image PC Routine Line Source
arts 0000000002AD96BE Unknown Unknown Unknown
arts 0000000002AD8156 Unknown Unknown Unknown
arts 0000000002A87532 Unknown Unknown Unknown
...
Nonetheless, if I insert a small write statement (which is just to check the code, not to disturb the original purpose of the code) in one of the subroutines as the following (I couldn't put all the codes since they are too huge):
...
endif
call GetInputLine(Unit,line,eof,err)
enddo
if(err) return
! - [elfsummer] 20140815 Checkpoint 23
open(unit = 1, file = '/bin/monitor/log_checkpoint',status='old',position='append')
write(1,*) "BEFORE checking required keys: so far so good!"
close(1)
! check required keys
! for modes = 2,3, P and T are the required keys
if(StrmDat%ModeCI==2.or.StrmDat%ModeCI==3) then
...
then suddenly, the error message shown above disappears and the code can run correctly! I also tried to insert such write statements in other locations in the source code but the above error message still exists.
According to Intel's documentation:
severe (153): Allocatable array or pointer is not allocated
FOR$IOS_INVDEALLOC. A Fortran 90 allocatable array or pointer must already be allocated when you attempt to deallocate it. You must allocate the array or pointer before it can again be deallocated.
Note: This error can be returned by STAT in a DEALLOCATE statement.
However, I couldn't see any relations between the error and the "write statements" I added to the code. There is no such "allocate" command in the location I add the write statements.
So I am quite confused. Does anybody know the reasons? Any help is greatly appreciated!!
With traceback option, I could locate the error source directly:
subroutine StringRead(Str,delimiter,StrArray,ns) ! [private] read strings separated by delimiter
implicit none
character*(*),intent(in) :: Str
character*(*),intent(in) :: delimiter
character*(*),pointer :: StrArray(:)
integer,intent(out) :: ns
! - local variables
character(len=len(Str)) :: tline
integer :: nvalue,nvalue_max
character(len=len(StrArray)),pointer:: sarray(:),sarray_bak(:)
integer :: len_a,len_d,i
! deallocate StrArray
if(associated(StrArray)) deallocate(StrArray)
The error, according to the information the traceback gave me, lies in the last statement shown above. If I comment out this statement, then the "forrtl: severe (153)" error would disappear while new errors being generated... But still, I don't think this statement itself could go wrong...It acts as if it just ignores the if... condition and directly reads the deallocate commend, which seems weird to me.
You could have a bug in which you are illegally writing to memory and damaging the structure that stores the allocation information. Changing the code might cause the memory damage to occur elsewhere and that specific error to disappear. Generally, illegal memory accesses typically occur two ways in Fortran. 1) illegal subscripts, 2) mismatch between actual and dummy arguments, i.e., between variables in call and variables as declared in procedures. You can search for the first type of error by using your compiler's option for run-time subscript checking. You can guard against the second by placing all of your procedures in modules and useing those modules so that the compiler can check for argument consistency.
Sounds like some of the earlier comments give the general explanation. However,
1) Is StrArray(:) an Intent(out)? That is, are you reading the file's lines into StrArray() in the s/r, with the hope of returning that as the file's content? If so, declare it as an (Out), or whatever it should be.
2) Why is StrArray() a Pointer? Does it need to be a Pointer? If all you want is file content, you may be better off using a non-Pointer.
You may still need an Allocatable, or Automatic or something, but non-Pointers are easier in many cases.
3) If you must have StrArray(:) as a Pointer, then its size/shape etc must be created prior to use. If the calling sequence ACTUAL Arg is correctly defined (and if StrArray() is Intent(In) or Intent(InOUT), then that might do it.
By contrast, if it is an (Out), then, as with all Pointer arrays, it must be FIRST Allcoated() in the s/r.
If it is not Allocated somewhere early on, then it is undefined, and so the DeAllocate() fails, since it has nothing to DeAlloc, hence Stat = 153.
4) It is possible that you may wish to use this to read files without first knowing the number of lines to read. In that case, you cannot (at least not easily), Allocate StrArray() in advance, since you don't know the Size. In this case, alternate strategies are required.
One possible solution is a loop that simple reads the first char, or advances somehow, for each line in the file. Have the loop track the "sum" of each line read, until EOF. Then, you will know the size of the file (in terms of num lines), and you then allocate StrArray(SumLines) or something. Something like
SumLines = 0
Do i=1, ?? (or use a While)
... test to see if "line i" exists, or EOF, if so, Exit
SumLines = SumLines + 1
End Do
It may be best to do this in a separate s/r, so that the Size etc are known prior to calling the FileRead bits (i.e. that the file size is set prior to the FileRead s/r call).
However, that still leaves you with the problem of what Character(Len) to use. There are many possible solutions to this. Three of which are:
a) Use max length, like Character(Len = 2048), Intent(Out), or better yet, some compile time constant Parameter, call it MaxLineWidth
This has the obvious limitation to lines that <= MaxLineWidth, and that the memory usage may be excessively large when there many "short lines", etc.
b) Use a single char array, like Character(Len = 1), Intent(Out) :: StrArrayChar(:,:)
This is 2-D, since you need 1 D for the chars in each line, and the 2nd D for the lines.
This is a bit better compared to a) since it gives control over line width.
c) A more general approach might rely on a User Defined Type such as:
Type MyFileType
Character(Len=1), Allocatable :: FileLine(:) ! this give variable length lines, but each "line" must be allocated to the length of the line
End Type MyFileType
Then, create an array of this Type, such as:
Type(MyFileType), Allocatable :: MyFile(:) ! or, instead of Allocatable, can use Automatic etc etc
Then, Allocate MyFile to Size = num lines
... anyway, there are various choices, each with its own suitability for varying circumstances (and I have omitted much "housekeeping" re DeAllocs etc, which you will need to implement).
Incidentally, c) is also one possible prototype for "variable length strings" for many Fortran compilers that don't support such explicitly.

performance of allocatable vs. statically sized arrays

I have a fortran code I had to modify to include a new library. Initially in the code the size of an array was passed in the Makefile, which meant every time I wanted to change the size of array I had to recompile the code. I changed this to read the size of the input array from an "input parameters file" so that it avoids the need to recompile every time. However, due to various reasons, my code is much slower than before.
Talking to my boss, he was of the opinion it might be possible that because we are not passing the size of the array during compile time, the code is not well optimized. Is it possibly true?
Thanks
---------------Edit---------------------
Initially there were these line in the makefile
NL = 8
#echo Making $(SIZE_FILE) .....
echo " integer, parameter( nl = " $(NL) " )" > $(SIZE_FILE)
This created a "sizefile" with value of "NL". This file was "include"d in the main program at as the header and then arrays were declared like this in the fortran file:
include "sizefile"
real*8, dimension ur(nl)
Now I have declared a subroutine called "read_input_parameters" which is called by the program which reads a text file with the value of "Nl". And then I allocate the array like this:
program test
integer n
allocatable :: ur(:)
call read_input_parameters(n)
allocate(ur(n))
*operations*
deallocate(ur)
stop
end
You should use a profiler and find the operations that are slow and post their code. The code you showed is useless. Are the results correct, at least?
The slowness can be caused by many factors. One of them is bad argument passing, which makes copy-in / copy-out necessary. Also, the fact that the subroutine does not know if the array is contiguous can do some harm, but not much.