CCL: Queuing system recommendations?

[Adam Tenderholt <atenderholt[*]gmail.com>]

 This is somewhat off-topic, since I'm not advocating a specific queuing
 system, but it may still be useful information...

I'd recommend looking at Rocks Clusters (http://www.rocksclusters.org/wordpress/). It has "rolls" for both SGE and Torque. It's been awhile since I set up a cluster, but I remember it taking care of setting up the Torque/Maui queueing system nearly automatically (users and resources); only the queues had to be setup. 

I believe Rocks also creates a NFS-share so that custom applications only need to be installed on the master node. User information can be propagated to the compute nodes with a simple command ('rocks sync users'?). It also creates ssh keys for password-less logins between the master node and compute nodes. And if you ever need to add additional compute nodes, it's very easy.

Adam

On Wed, Oct 31, 2012 at 1:47 AM, Mikolaj Feliks mikolaj.feliks]|[gmail.com <owner-chemistry(-)ccl.net> wrote:

Sent to CCL by: Mikolaj Feliks [mikolaj.feliks(!)gmail.com]

Hi Victor,

I`d recommend Slurm. We use it in our lab with great success, for ORCA jobs too.

https://computing.llnl.gov/linux/slurm/

I find it also easier to setup than Torque.


Regards,

Mikolaj

On 10/31/2012 12:31 AM, Victor Rosas Garcia rosas.victor#%#gmail.com wrote:

Hello everybody,

I'm thinking about setting up a queuing system for my cluster, but I am
really at a loss about how to choose one.  I have heard about Torque and
SQS, but never used any of them.  My cluster is a small, Debian-based
32-cpu cluster with local scratch disk space for each 4-cpu box.  So, I
would like to know, what do CCL'ers actually use to queue their jobs?

My calcs use a mix of mostly GAMESS-US and GROMACS with some ORCA.  Both
GAMESS and GROMACS can easily use the whole cluster, but the ORCA calcs
cannot use the whole cluster, thus the need to have them waiting for the
next available box.

Best regards

Victor

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