Subject: Gaussian on Unix PC... the summary

From: "Michael D. Bartberger" <[email-masked]>
Date: Wed, 14 Jun 1995 19:47:48 -0400 (EDT)

Hello all:

As promised, here is the summary of the responses I received regarding my 
question of G9x on a unix-based PC in light of difficulties (!!!!!!!) 
using the Windows version.

To refresh your memory, I am having a terrible time running G92 / Win, 
with chronic General Protection and Ilegal Instruction Faults.  It is 
highly irritating and equally unsystematic. (It runs fine for some input 
decks, crashes on others.)  The responses I recieved have suggested 
trying OS/2 or NT if I were to stay with the Windows version.  In 
addition, some other useful tidbits regarding other platforms is enclosed.

It would seem as though Solarix x86 is certainly worth trying out.  I've 
seen it and it's very nice... and quite speedy as well, although I don't 
have actual Gaussian source to try it out on...... 

At any rate, thanks to all who responded.

Regards,

Michael

*********

From: "Frederick P. Arnold, Jr. x8720" <[email-masked]>
To: [email-masked]
Subject: RE: CCL:G9X compilation on Linux / Solaris

Unfortunately, I cannot help you with the G92 on PC platform, though I would
be interested in knowing your results.

However, may I suggest getting a copy of GAMESS from Mike Schmidt at Iowa
State U ([email-masked]), as it is confirmed to compile under 
Linux using f2c, and probably will using the new g77-0.5.15.

Secondly, have you tried OS/2?  We had several windows programs that 
GPF'd much less frequently after changing to it here at Delaware.  
Testimonials to its effectiveness available from a mass-spec group using it for
production runs.

**********

From: "gregor t. overney" <[email-masked]>
To: "Michael D. Bartberger" <[email-masked]>
Cc: Gregor Overney <[email-masked]>
Subject: Re: CCL:G9X compilation on Linux / Solaris

  From you Email, I can conclude that you are trying a pretty impossible 
mission in running G92 on Microsoft's Windows 3.1. To be honest, Windows
3.1 is even too bad for crash-free word processing. 

  In our lab, we are using Linux, OSF/1, and (surprise !) Microsoft's
Windows NT 3.5. On all these OS, we are running MOPAC, GAMESS, and on the
NT platform only, also G92/DFT. The number of system crashes on OSF/1 are
as often as on NT. Linux seems even to be more stable. 

  Solution: I do not think that you get easily your hands on the source
for G92 and/or G94 (if you do, please let me know). Therefore a Linux
version will not be available within a reasonable amount of time.
Switching to a "real" UNIX workstation costs too much money (10 k$ and
up). Moving over to NT seems to be the best choice. 

------------------------------------------------------------------------------
Gregor T. Overney, Ph.D.                         _\//__
Department of Chemistry                         / _  _ \
The University of New Mexico                   (  @  @  )
                                       +----.oOOo--()--oOOo.------+
Albuquerque, NM 87131-1096, USA        |  Email: [email-masked]  |
                                       +------------- Oooo.-------+
Phone: (505) 277-1665                       .oooO     (   )
FAX:   (505) 277-2609                       (   )     ) /
                                             \ (     (_/
                                              \_)
------------------------------------------------------------------------------

**********

From: [email-masked]
To: [email-masked]
Subject: Re: G9X compilation on Linux / Solaris

Hi, I have no experience on Gaussian/Windows, but if you think that the 
instability is largely due to other Windows programs (sure, Windows itself 
is also to blamed), and not because of Gaussian itself, you may try running 
your programs under OS/2.
Weigen

**********

From [email-masked] Jun 14 19:25:58 1995
Date: Tue, 30 May 1995 08:26:13 +0300 (EET DST)
From: Jussi Eloranta <[email-masked]>
To: "Michael D. Bartberger" <[email-masked]>
Subject: Re: CCL:G9X compilation on Linux / Solaris

I did some quick tests under linux with GNU fortran but at this time
the gnu ftn compiler lacks integer *2. Otherwise I just had to hack
the files under bsd/ directory. It shouldn't be very difficult task
when the next version of gnu ftn is released.

The g92 runs fine under solaris/SPARC but I would imagine that there
are no byte order dependencies or if there are they are easy to fix
since there seems to be defs for intel systems too.

Yes, the usual windows stuff. I don't have windoze systems running any more...
I switched to linux and been happy since ;-)

Jussi Eloranta

**********

From: "Klaus R. Liedl" <[email-masked]>
To: [email-masked], [email-masked]
Subject: Re: CCL:G9X compilation on Linux / Solaris

Having a Linux Version of Gaussian94 would be in fact highly interesting
not only because of much higher stability, but also for performance 
reasons.

Tests with some of our own Fortran codes show,
that a Pentium at 100MHz gives about the same speed
(using f2c or g77 -the GNU Fortran compiler- under Linux)
as an IBM RS6000/550 ...
(This is also about what you would expect on looking at the
the SpecFP values.)

We just observed similar things that you describe.
If you want to make serious use of G92/Win you habe
to install a dedicated G92/Win PC, that is used for
nothing else but G92/Win.

Anyhow the problems with G92 under MS-Windows for sure
not emerge from G92/Win but from MS-Windows itself ...

best wishes

Klaus

**********

From: "Walter E. Reiher III" <[email-masked]>
To: "Michael D. Bartberger" <[email-masked]>
Subject: Re: CCL:G9X compilation on Linux / Solaris

I'm not a G92/Win user, but I am a happy user of Windows NT and wanted to
suggest that you consider that option.
     After working with UNIX boxes for many years, I nearly went nuts when
I started working with a new group that wanted to use PCs and I finally had
to learn DOS/Windows...it's *miserable*.  [You didn't mention running out
of "resources", my favorite.  :-)]
     However, I've now been using Windows NT 3.5 for a number of months now
and it's _really nice_.  None of that GPF, hanging, DUMBNAME.DOS, etc. that
you have do deal with under DOS/Win.  NT is also faster:  I've tried a few
little test cases and found that the same program on the same machine
running under a 32-bit DOS extender runs faster under NT than under DOS.
There _are_ some incompatibilities with some DOS/Win programs, so contact
Gaussian first, but I do think it's worth a try.

**********

From: Pedro A M Vazquez <[email-masked]>
To: [email-masked]
Subject: g92 on pc//unix

Hello
	Last year we ported GAMESS to FreeBSD, a free 4.4BSD Unix implementa
tion for x86 computers. After your mail I started to do the same thing
with gaussian 92. It seems it is possible to do the port. I'll keep you
informed.
	My experience with both GAMESS and G92 with workstations is:
	G92 needs losts of resources to do well, at least 32-64M of
ram and from 1-2Gbyte disk. While this is commonplace in the workstation
room it is rare when it comes to PCs. The only two pentiums with 32M
RAM we have here are PS2 machines and can't run FreeBSD or Linux. THe
other PC's are all 16Mbyte in RAM. Anyway I'll try on them.
	GAMESS, on the other hand, is very happy with 16M ram and
can do several kind of work.
	If you got answers on another people already running g92 with
Unix PC let me know please.

Regards

Pedro