From owner-chemistry@ccl.net Tue Oct 30 19:33:00 2012 From: "Victor Rosas Garcia rosas.victor#%#gmail.com" To: CCL Subject: CCL: Queuing system recommendations? Message-Id: <-47807-121030193126-15104-yviu1gWBrch8x5TgqsEgfw,,server.ccl.net> X-Original-From: Victor Rosas Garcia Content-Type: multipart/alternative; boundary=0015175cd04eeb006904cd4f2e7d Date: Tue, 30 Oct 2012 17:31:19 -0600 MIME-Version: 1.0 Sent to CCL by: Victor Rosas Garcia [rosas.victor,+,gmail.com] --0015175cd04eeb006904cd4f2e7d Content-Type: text/plain; charset=ISO-8859-1 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 --0015175cd04eeb006904cd4f2e7d Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable 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.=A0 I hav= e heard about Torque and SQS, but never used any of them.=A0 My cluster is = a small, Debian-based 32-cpu cluster with local scratch disk space for each= 4-cpu box.=A0 So, I would like to know, what do CCL'ers actually use t= o queue their jobs?

My calcs use a mix of mostly GAMESS-US and GROMACS with some ORCA.=A0 B= oth 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 n= ext available box.

Best regards

Victor
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