DALTON can be run on a variety of systems running the UNIX
operating system. The current release of the program supports
Cray-UNICOS,
Cray-T3D/E,
HP-UX,
IBM-AIX,
IBM-SP2,
Linux using g77, pgf77 or ifc,
SGI-IRIX,
Sun,
MacOS X (darwin) using xlf/xlc or g77/gcc,
and DEC-Alpha.
We furthermore note that response calculations involving the
spin-orbit operator only will work on some of these
computers (more details are given in the file
dalton/test/KNOWN_PROBLEMS).
The program is written in FORTRAN 77 and C , with machine dependencies isolated using C preprocessor directives. All floating-point computations are performed in 64-bit precision, but if 32-bit integers are available the code will take advantage of this to reduce storage requirements in some sections.
The program should be easily portable to other UNIX platforms: indeed, the IBM-AIX version may very well work without change on typical 32-bit UNIX workstations. Users who port the codes to other platforms are encouraged to communicate any required changes in the original source with the appropriate C preprocessor directives to the authors.
For installation under MacOS X with the G5 architecture, note that the current release of DALTON requires OSX 10.3, XTools version 1.5 and gcc version 3.3, all available from the Apple website. We recommend the use of the IBM xlf (v8.1) and xlc (v6.0) compilers, as development and testing is with these compilers.