From owner-chemistry@ccl.net Tue Dec 31 20:37:00 2013
From: "Herbert Fruchtl herbert.fruchtl[]st-andrews.ac.uk" <owner-chemistry . server.ccl.net>
To: CCL
Subject: CCL:G: Operating system and a workload manager
Message-Id: <-49494-131231203406-22539-vgUmwcAApIXqHnRg+sWexA . server.ccl.net>
X-Original-From: Herbert Fruchtl <herbert.fruchtl[A]st-andrews.ac.uk>
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Date: Wed, 01 Jan 2014 01:33:31 +0000
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Sent to CCL by: Herbert Fruchtl [herbert.fruchtl^^st-andrews.ac.uk]
If you want a reasonable cluster setup with built-in queueing system (I 
assume that's what you mean with workload manager), I'd go with ROCKS, 
including the SGE roll. Making changes to the standard setup has a bit 
of a learning curve (all the RedHat/CentOS tools are there, but you 
can't use them), but the standard setup is OK for 90% of use cases in a 
smallish group.

HTH,

   Herbert

On 31/12/2013 18:03, Mahmoud A. A. Ibrahim m.ibrahim() compchem.net wrote:
>
> Sent to CCL by: "Mahmoud A. A. Ibrahim" [m.ibrahim^compchem.net]
> Dear Colleagues
> Hope my email finds you well and happy new year.
> Regarding our previous email about workstation/cluster, we have made our mind
> to purchase a dell cluster with a specific configuration based on our budget.
> For now, we were wondering which FREE operating system would you recommend? as
> well which FREE workload manager would you recommend?
> We are planning to run Gaussian and AMBER software at the current time.
> Thanks in advance.
> Sincerely;
> M. Ibrahim
> P.S. we would like to thank all those responded directly to our personal email
> on our previous email.>
>