Gaussian on Leopard

By xtremedz at Wed, Oct 8 2008 10:27pm |

I am currently an administrator in a computational chemistry lab, we run Gaussian and our current computer structure is mixed G5's and MacPro's. We recently acquired a handful more G5's from another department on campus and they have come with Leopard.
According to Gaussian I should be able to compile/run Gaussian on these machines because they are PPC, but I was wondering if anyone had any experience with Gaussian on an Intel machine running 10.5. I understand that it isn't supported, I just want to hear if there is any user experience.
Thanks!

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Sat, 2008-10-11 10:55 — dgohara

Re: Gaussian on Leopard

We've been able to build Gaussian on Mac Pro's running Leopard here. We had to modify the build scripts slightly to get around certain nuances (that relate to Gaussian, and not the systems or OS). We used the Intel compilers to do the building. I can provide more information if you need it.

Hope that helps,

Dave

Sat, 2008-10-18 21:24 — ghutchis

Parallel Runs

I run Gaussian on Leopard on Intel. The problem is that it currently has a bug and cannot run in parallel. (Consequently, we haven't upgraded our cluster from Tiger.)

Otherwise, it runs just fine. Last time I talked to Gaussian directly, they hoped that the next minor release of Gaussian would solve it. (Their claim was the problem derives from the changes to SMP in Leopard.)

Tue, 2008-10-21 06:28 — scienceschimiques

Re: Gaussian on Leopard

Hi David,

I'm looking for instructions to recompile Gaussian to get a parallel version with openmpi. We are using Leopard Mac Pro too (with Intel Compiler and MKL Lib) and it's not as easy as I thought ;)

Could you please help us ?

Thanks in advance.

PR

Thu, 2008-11-06 10:47 — mpetryk

compiling older version of Gaussian on v10.5 Leopard

Hello,

Does anyone out there have experience with compiling Gaussian 03 revision c.02 on an XServe with v10.5 Leopard? If anyone has tried this and met with success I'd love to hear about it.

Michael Petryk

Mon, 2009-07-13 17:10 — jdacchio

Help with G03 on Leopard!

Hi Dave,

I just stumbled across this thread, and am trying to compile G03 on Leopard (10.5.7). If you could give details on modifying the install scripts, it would be greatly appreciated.

Be well,

Jason

Jason D'Acchioli
Assistant Professor of Chemistry
University of Wisconsin-Stevens Point
2001 Fourth Avenue
Stevens Point, WI 54481
http://chemdac.uwsp.edu