The ASW program package

• is written completely in Fortran 95

• comprises about a dozen main programs, 450 subroutines, and 100000 lines of source code

• is fully commented

• works with a single easy to use input file,
  all other files are automatically created by the program

• has all routines checked with both ftnchek and Forcheck

• is adapted to UNIX-platforms (GNU make-utility)

• comprises a fully self contained source code (no need to link extra libraries)

• uses (optimized and reliable) public domain software for standard tasks
  • mathematical software taken from LAPACK - Linear Algebra PACKage, BLAS - Basic Linear Algebra Subroutines, and GotoBLAS - K. Goto's fast implementation of the BLAS
  • still linking of local, machine optimized ATLAS - Automatically Tuned Linear Algebra Software possible (and recommended)
  • crystal structure visualization using XCrysDen or RasMol
    
  • visualization of (weighted) bands, (partial) DOS, and (partial) COOP, COHP, E_cov using Gnuplot
    
  • Fermi surface visualization using XCrysDen
    
  • Bader analysis using bader
    

• is fully portable and has been tested with a large variety of platforms and compilers
  • IBM RS6000 (XL Fortran 95)
  • HP 9000 (Fortran 90)
  • CRAY Y-MP, YEL, J90, T90 (CF90)
  • SGI (f90)
  • SNI S400 (frt), VPP500 (frtpx)
  • Sun SPARC (Solaris, f90)
  • Convex (ConvexOS, fc -f90)
  • Compaq Alpha (Fortran 95)
  • Power Mac G5 Mac OS X (G95)
  • PC (AMD/Intel) Linux (Lahey/Fujitsu Fortran 95, PGI f90, Absoft Pro Fortran, NAG f95, Intel f95)
  • PC (AMD/Intel) Windows95/98/NT (Lahey Fortran f95, Intel f95)
  • All platforms: G95, GNU Fortran 95

• provides shell scripts for use with common job queueing systems
  • IBM's LoadLeveler
  • Portable Batch System - PBS
  • Sun Grid Engine - SGE

• is not public domain; please contact Volker Eyert (email: volker@fpasw.de)

	ASW Homepage	Volker Eyert's Homepage
Last revision: 09.03.2018
©1998-2024 Volker Eyert	Disclaimer