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Re: GU: GAMESS port to Linux
Istvan Cserny said:
>
> 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).
> ~~~~~~~~~~~~~~~~~~
Sorry, the manual was not at hand :-)
> 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
We are runnig gamess compiled with g77-0.5.18 -O2, the results
are:
Bench10 Bench04 Bench13 Bench07
f2c 72.3 92 310 451
g77 61 78 281 335
this is for a P166 under freebsd2.1.0.
> (which is actually a fast 486 chip), so I still prefer to use f2c
> (the situation
> may be different with the Pentium CPU).
>
Pedro