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GU: GAMESS port to Linux
Pedro A M Vazquez <vazquez@IQM.Unicamp.BR> wrote:
> I believe this is mentioned on the GAMESS manual, I did a
> port of GAMESS in 1993 for FreeBSD1.0 and sent it to Mike, after that
> someone from Germany did slight modifications to compile under Linux too.
His name is Klaus-Peter Gulden (gulden@chemie.uni-wuerzburg.de).
~~~~~~~~~~~~~~~~~~
> Since that time no maintenance was done (AFAIK) to the PCUNIX
> options in GAMESS and we had no problems building it with f2c/gcc or g77 and
> TCGMSG under FreeBSD, some Linux distributions may or may not need small,
> cosmetic, modifications to compile.
Receiving the March 95 version of GAMESS, it was necessary to remove one
of the latest modification done by Mike ;-) (I replaced all occurences
of DREAL to DBLE
by adding few lines in the "hack" part of the comp script). It was not
mandatory,
but I also added an fdate function to zpcunix.c. I've sent these
modifications
to Mike, but I don't know if these hacks were included in the newer
distributions or not.
Note:
1. the DREAL --> DBLE hack is not necessary if you use g77 instead of
f2c+gcc
2. none of the g77 compiler versions were able to produce a usable
_optimised_
(i.e -O2 or -O3 compiler switch used) code of GAMESS for my AMD
5x86/133 CPU
(which is actually a fast 486 chip), so I still prefer to use f2c
(the situation
may be different with the Pentium CPU).
Istvan