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Full Discussion: FORTRAN: Loop over variable file names
Top Forums Programming FORTRAN: Loop over variable file names Post 302942170 by Don Cragun on Saturday 25th of April 2015 01:58:47 AM
Old 04-25-2015
I haven't written much FORTRAN since ~1975, the language is a lot more free-format than the language I used at that time, and I find your indentation hard to follow; but if I am reading your code correctly, you are allocating space for the zper(), zpcr(), and qvibr() arrays before the start of the temp loop and deallocating space for those arrays inside the temp loop. So, my guess would be that your program is dying on the line:
Code:
zper(i)= 0.5*h*c*freqtot								! zero point energy

the 2nd time through your temp loop because you are referencing an unallocated array.

If I were writing this code, I think I would also read the reac-X files once shortly after reading r and save the file sizes in an array so I wouldn't need to recalculate these values each time through your temp loop.
This User Gave Thanks to Don Cragun For This Post:
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LEARN ABOUT DEBIAN

fc

FC(1)							      General Commands Manual							     FC(1)

NAME

       fc - frontend script to the f2c fortran compiler

SYNOPSIS

       /usr/bin/fc [-o objfile] [-c] [-S] [-C] [-u] [-w] [-w66] [-D switch] [-I includepath] [-Ntnnn] [-P] files [-l library]

DESCRIPTION

       fc  is  a script intended to be used as a front end to the f2c FORTRAN-to-C translator. It is supposed to make the whole f2c and C compiler
       setup look like a real Fortran compiler.

       File arguments with a .f suffix are compiled as Fortran source.	Files with a .F suffix are passed through the C preprocessor cpp(1) first.
       Files with .c (C source) or .s (assembly source) suffixes are passed to the C compiler directly.  Files with a .e suffix are treated as efl
       source files, and files with a .r suffix are treated as RATFOR source files.

OPTIONS

       -o objfile
	       Produce an output executable named objfile rather than using the default name a.out.

       -c      Do not call the linker; instead, leave relocatable object files as *.o.

       -S      Produce assembly output as file.s

       -C      Compile in extra code to check that array subscripts are in bounds.

       -l library
	       Libraries specified with this option are passed to the linker.

       -U def  Definitions specified with this option are passed to C compiler (for .c files) or to cpp (for .F files) to remove definition.

       -u      Complain about undeclared variables.

       -v, --version
	       Print version of f2c in use

       -w      Omit all warning messages.

       -w66    Omit Fortran 66 (Fortran IV) compatibility warning messages.

       -D switch
	       The given switch is passed to the C compiler (for .c files), to cpp (for .F files) and to f2c.

       -I includepath
	       Passed to the C compiler (for .c files), to cpp (for .F files) and to f2c.

       -Ntnnn  Allow nnn entries in table t.

       -P      Emit .P files.

BUGS

       fc isn't really very good -- try fort77 (1), which does a better job.
       This manual page isn't really very good either...

AUTHOR

       S. Feldman, D. Gay, M. Maimone, N, Schryer are all mentioned in the paper on the conversion of Fortran to C.
       Peter Maydell (pmaydell@chiark.greenend.org.uk) wrote this manual page, and Alan Bain (alanb@chiark.greenend.org.uk) made some minor  modi-
       fications.

SEE ALSO

       f2c(1), fort77(1), cc(1), cpp(1), ratfor(1)

								     May 1999								     FC(1)
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