Problems compiling Gaussian03 on FC6

Hi,

I have been trying to compile Gaussian03 on my Fedora Core 6. Gaussian doesn’t support this, but I still think it is doable.
I first tried using an older version of PGI (v.5.1) that I have a license for, but Gaussian (Rev D.02) supports PGI 6.0 and 6.1 so I figured I try a new version. So now I am using an eval of PGI 6.2, which hopefully should do the trick.

Now when I run the installation I get the following errors:

pgf77    -mp  -O2 -tp p6 -Mreentrant -Mrecursive -Mnosave -Minfo -Mneginfo -time
 -fast -Munroll -Mvect=assoc,recog,cachesize:2097152,prefetch -c aabs.f
pgf77-Warning-Unknown switch: -mp
pgf77-Warning-Unknown switch: -O2
pgf77-Warning-Unknown switch: -tp
pgf77-Error-file with unknown suffix ignored: p6
pgf77-Warning-Unknown switch: -Mreentrant
pgf77-Warning-Unknown switch: -Minfo
pgf77-Warning-Unknown switch: -Mneginfo
pgf77-Warning-Unknown switch: -time
pgf77-Warning-Unknown switch: -fast
pgf77-Warning-Unknown switch: -Munroll
pgf77-Warning-Unknown switch: -Mvect=assoc,recog,cachesize:2097152,prefetch
pgf77-Warning-Unknown switch: -c
pgf77-Error-file with unknown suffix ignored: aabs.f

pgf77    -g -c ml0.f
pgf77-Warning-Unknown switch: -g
pgf77-Warning-Unknown switch: -c
pgf77-Error-file with unknown suffix ignored: ml0.f

Now I don’t understand anything of these errors, as the switches should be usable with pgf77 (from PGI 6.2), right?

All help appreciated…

Thanks, Jesper

\

Jesper Soerensen, B.Sc.
Department of Chemistry
Aarhus University

Hi Jesper,

Since FC6 was released several months after PGI 6.2, FC6 was not initially supported. However, we have since issued a ptach (See PGI Release FAQ page) which will allow PGI 6.2-5 to install properly on FC6. As for whether Gaussian03 supports FC6, please contact Gaussian directly.

Thanks,
Mat

Exactly where do i find this patch…?

Hi John,

The patch is no longer necessary since the 7.0 release includes support for FC6 and openSuSE 10.2. If you are unable to upgrade to 7.0, please contact PGI customer service (trs@proup.com) and they should be able to assist you.

Thanks,
Mat

Is this patch still available? I am getting the same error messages from v6.2-5 under Ubuntu 8.04-1, and can’t upgrade to your v7.x due to incompatibilities in the package I am trying to build.

Hi JoeB,

Please send a note to customer support at trs@pgroup.com. They should be able to help you get the product installed.

  • Mat