Subject: SUMMARY - Gaussian94 for pentium II

From: [email-masked] (Bertrand Illien)
Date: Mon, 19 Jan 98 10:28:09 +0100

Dear CCL,

Many thanks to all who responded to my questions about Gaussian94 for
pentium II.
The orignal question was :
Gaussian Inc. distributes GAUSSIAN 94 for 486,pentium and pentium pro

 under FRee BSD or Linux (RedHat).

         We would like to Know if someone has already run Gaussian 94 on
 pentium II with single or 2-processors under Free BSD or RedHat ?
         It is possible and stable ?

Below is the summary of all the responses I received.

Bertrand

_____________________________________________________________________________
From: Peeter Burk <[email-masked]>

        Yes, I have just tried out G94 on 300 MHz Pentium II under RH Linux.
So far it is behaving strangely - once out of three to four runs (on the
same input data) it gives absolutely meaningless results. I do not know is
it due to local hardware problems (but all other programs - mopac,
GAMESS-US, etc. run correctly) or processor. Seems that problems are with
some 70* links. I'm very much interested in other replays you receive.

        Regards
                Peeter

--
Peeter Burk                             Jakobi 2, EE2400 Tartu, Estonia
Institute of Chemical Physics           Phone (372-7) 465-265
Tartu University                        Fax   (372-7) 465-264
Estonia                                 E-mail [email-masked]
_____________________________________________________________________________
Date: Fri, 16 Jan 1998 13:08:36 +0100 (MET)
From: Gert Everaert <[email-masked]>

I 've got Gaussian 94 rev.D running on a pentium II 233Mhz (single
processor) with only 32 Mb of memory, under linux (RedHat 4.2). I
installed it using f2c and it works quite fine.
For dual processor machines, you will probably need some extra software
>from Gaussian.
 Gert

<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
Gert Everaert, Dept of Chemistry, RUCA               Tel : +32 3 218.03.63
Groenenborgerlaan 171                                Fax : +32 3 218.02.33
B 2020 Antwerp, Belgium                        Email : [email-masked]
<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
_____________________________________________________________________________
From: "Joseph W. Bausch" <[email-masked]>

Yes, I've run G94 (REv e2) on a Dual PII 300 MHz with RedHat 5.0.

JWB
-------
_____________________________________________________________________________
Date: Fri, 16 Jan 1998 14:19:03 +0000
From: "C. Brian Kellogg" <[email-masked]>

        I have run G94 on an intel-PPro running Redhat Linux (v4.0 and v5.0)
and have found it very stable.  Timings for relatively small jobs (DFT geom.
optimizations with < 100 basis functions) are quite competitive with the
timings on our RS600 590, but larger jobs slow down quite significantly.  I
think that the main issue is i/o and is primarily a hardware problem (I only
have EIDE drives).  I compiled G94 using f2c and gcc, so it is possible that
better performance would be realized with a "real" FORTRAN compiler.

        Hope that helps.

-Brian Kellogg

--
C. Brian Kellogg          A111 / 221 (Physics)
phone: (301)975-2526      National Institute of Standards and Technology
fax:   (301)975-3670      Gaithersburg, MD 20899
_____________________________________________________________________________
From: "Brent H. Besler" <[email-masked]>
Date: Fri, 16 Jan 1998 09:44:05 -0500 (EST)

I have run G94 Rev E2 under Red Hat Linux on a Pentium II 300.  It is
compiled by running it through f2c and then through gcc.  It is
officially certified to run under Linux.  I have only run B3LYP
calculations on it.  The result agree with our Dec Alpha and Silicon
Graphics.  The speed is a bit disappointing.  It is only 1/5 the speed
of our 500 Mhz Alpha under Digital Unix, while a simple home written
Monte Carlo code is 50% as fast as the Alpha.  We are going to try using
the Portland Group high performance Fortran compiler.
_____________________________________________________________________________
Date: Sat, 17 Jan 1998 10:45:55 +0800 (PST)
From: Seow Kah Tong <[email-masked]>

I am trying to use pentium II for linux. Are you aware any problem with
transferting from pentium 200 MMX to pentium II

Kah-Tong, Seow
IMCB, NUS
10 Kent Ridge Crescent
Singapore 129050
_____________________________________________________________________________
Date: Sat, 17 Jan 1998 11:11:44 -0500 (EST)
From: "M. Nicklaus" <[email-masked]>

We have just installed G94 on a 300 MHz Pentium II system
(one CPU on a dual-CPU motherboard), running RedHat Linux 5.0.

First tests indicate this system to be very fast, and, up till
now, stable.  More data will be forthcoming.

Marc

------------------------------------------------------------------------
 Marc C. Nicklaus                        National Institutes of Health
 E-mail: [email-masked]               Bldg 37, Rm 5B29
 Phone:  (301) 402-3111                  BETHESDA, MD 20892-4255    USA
 Fax:    (301) 496-5839
      http://rex.nci.nih.gov/RESEARCH/basic/medchem/mcnbio.htm
    Laboratory of Medicinal Chemistry, National Cancer Institute,  &
  Lab. of Structural Biology, Div. of Computer Research and Technology
------------------------------------------------------------------------

________________________________________________

           Bertrand ILLIEN

       Laboratoire de Spectrochimie
       Universite de Nantes
       Faculte des Sciences et Techniques
       2, rue de la Houssiniere
       BP 92208 44322 Nantes Cedex 3 FRANCE
       Tel: (+33) (0)2 40 37 30 44
       Fax: (+33) (0)2 40 74 50 00
       E-Mail: [email-masked]

_________________________________________________

---

From: Milan Hodoscek <[email-masked]>
Date: Mon, 19 Jan 1998 09:30:57 -0500

Besler>> _____________________________________________________________________________
Besler>> From: "Brent H. Besler" <[email-masked]>
Besler>> Date: Fri, 16 Jan 1998 09:44:05 -0500 (EST)
Besler>> 
Besler>> 
Besler>> I have run G94 Rev E2 under Red Hat Linux on a Pentium II 300.  It is
Besler>> compiled by running it through f2c and then through gcc.  It is
Besler>> officially certified to run under Linux.  I have only run B3LYP
Besler>> calculations on it.  The result agree with our Dec Alpha and Silicon
Besler>> Graphics.  The speed is a bit disappointing.  It is only 1/5 the speed
Besler>> of our 500 Mhz Alpha under Digital Unix, while a simple home written
Besler>> Monte Carlo code is 50% as fast as the Alpha.  We are going to try using
Besler>> the Portland Group high performance Fortran compiler.
Besler>> _____________________________________________________________________________

On Pentium Pro or PentiumII a compile option -malign-double makes
miracles! If you use f2c/gcc than this is a gcc option.

Milan Hodoscek, N.I.H & N.I.C.