From owner-chemistry \\at// ccl.net Fri Jan 21 20:28:00 2011
From: "Igor Filippov Contr igorf_+_helix.nih.gov" <owner-chemistry*|*server.ccl.net>
To: CCL
Subject: CCL:G: Gaussian on Centos?
Message-Id: <-43728-110121174534-15355-pjuh/hyP8WupL6/v5iqeiA*|*server.ccl.net>
X-Original-From: "Igor Filippov [Contr]" <igorf a helix.nih.gov>
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Date: Fri, 21 Jan 2011 17:45:24 -0500
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Sent to CCL by: "Igor Filippov [Contr]" [igorf/a\helix.nih.gov]
We run Gaussian 03 and GausView 4.1 on CentOs 4 without any problems.
All three are a bit old but working fine for our purposes.

Personally I'm somewhat skeptical about the claims that Gaussian speed
depends on the flavor of Linux (i.e. OpenSuse vs. CentOs), my guess
would be the culprit was properly optimized ATLAS libraries or a similar
issue.

While personally (again) I don't like Ubuntu - too much fancy GUI
frontend to be productive, I'm not sure what the previous poster meant
by "It doesn't run on Ubuntu, or any other open-source Linux flavor" -
as versus, say, closed-source Linux? Is there any other kind of Linux
but open source?

My 2 cents,
Igor



On Fri, 2011-01-21 at 12:54 -0500, Jason DAcchioli jdacchio * gmail.com
wrote:
> Hi Jason,
> 
> I did try. Honest, I did, but with no luck (I took a look at the link
> you sent a few months ago, but again, no dice). If anyone else out
> there has a good recipe, please let me know! Thanks again for the
> info. 
> 
> Be well,
> 
> Jason
> 
> On Thu, Jan 20, 2011 at 5:06 PM, Jason Swails swails%qtp.ufl.edu
> <owner-chemistry{:}ccl.net> wrote:
>         
>         
>         On Thu, Jan 20, 2011 at 2:52 PM, Jason D Acchioli
>         jdacchio---gmail.com <owner-chemistry(_)ccl.net> wrote:
>                 Hi Daniel,
>                 
>                 Both Gaussian and Gaussview will run on CentOS; I've
>                 got it working on an Altix XE310 in my lab. A word of
>                 warning, though; if you get Gaussview, it will only
>                 run on CentOS or Redhat. It doesn't run on Ubuntu, or
>                 any other open-source Linux flavor (easily, at least).
>         
>         
>         ooh! A challenge!  Were it not for the hefty price tag I'd
>         give it a go.  An ubuntu thread that may be helpful:
>          http://ubuntuforums.org/showthread.php?t=634578
>         
>         
>         In any case, Linux is Linux, so I can't imagine it's
>         completely incompatible with other flavors.  It may be
>         necessary to install additional packages with the proper
>         library versions.
>         
>         
>         As a side-note, SUSE 10 is listed as a supported platform if
>         an additional package is installed.
>         
>         
>         All the best,
>         Jason
>         
>         
>         
>                 
>                 
>                 Be well,
>                 
>                 Jason
>                 
>                 Jason S. D'Acchioli
>                 Assistant Professor of Chemistry 
>                 University of Wisconsin-Stevens Point
>                 
>                 On Wed, Jan 19, 2011 at 11:06 AM, Daniel Strahs
>                 dstrahs|pace.edu <owner-chemistry],[ccl.net> wrote:
>                         
>                         Sent to CCL by: Daniel Strahs
>                         [dstrahs**pace.edu]
>                         Hello colleagues:
>                         
>                         Has any one had any experience installing
>                         Gaussian for Linux/Red Hat
>                         Enterprise on the Centos OS? The binary
>                         compatibility with RedHat
>                         interests us.
>                         
>                         Thanks for any responses!
>                         
>                         --
>                         Daniel B. Strahs
>                         Associate Professor
>                         Biology and Health Sciences Department
>                         Pace University, New York
>                         
>                         
>                         
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>                 
>         
>         
>         
>         -- 
>         Jason M. Swails
>         Quantum Theory Project,
>         University of Florida
>         Ph.D. Graduate Student
>         352-392-4032
>