next up previous
Next: Printing the execution times Up: FORTRAN source file Previous: Library subroutines


FORTRAN-90 version

The code HFODD version (v2.07f) is written in FORTRAN-77. However, on several platforms several tested FORTRAN-77 compilers did not perform well with respect to the memory management. In particular, they often distributed large matrices on computer's stack and heap in a wasteful way, and then the available memory could be insufficient for the code to execute, especially for large HO bases. Therefore, crucial parts of the code have been promoted to FORTRAN-90, with an active use of explicit memory allocation and deallocation. In the FORTRAN source code provided in the file hfodd.f, all these FORTRAN-90 features are commented out and inactive. However, very simple modifications of the source code can easily be performed to transform code HFODD to FORTRAN-90. To this end, the user should run an automated editor script which will perform the following two operations:

  1. Replace all strings "C F90" by spaces, and

  2. Remove two lines of code (or three lines of the file) after lines marked by the string:
    "C IN F90 VERSION PLEASE REMOVE THE TWO FOLLOWING LINES".

The FORTRAN-90 version should be compiled with the "fixed form" non-standard option of the FORTRAN-90 compiler.


next up previous
Next: Printing the execution times Up: FORTRAN source file Previous: Library subroutines
Jacek Dobaczewski 2004-01-06