[torqueusers] Materials Studio and wallclock time

Steven A. DuChene linux-clusters at mindspring.com
Tue Feb 7 16:15:39 MST 2006

Well, the deal is that there is a front end GUI that runs on the end user's
Windows desktop. On the "gateway" node to the cluster there is a special
altered version of Apache that accepts connections from this desktop client.
Behind this Apache gateway system is the backend stuff that can be
configured to directly access the nodes via hostnames or indirectly send
jobs to the nodes thru a queuing system. When the system is configured
to use a queuing system, the pbs job script gets built on the fly by the
magic that happens behind the Apache gateway. So the user is not really
in control of what gets put into the pbs job script. By default the resulting
magically assembled job script does not specify a wall clock time. There is
however a file buried deep in the depths of the software install directories
that can be altered to add special pieces to the resulting pbs job script.
Normally this config file is NOT meant to be altered for each job. It is a
"set it, forget about it" sort of file. This is where the Accelrys support folks
had me specify the default wall clock time that would be used by ALL jobs
submited through this complex interface. Without this alteration, the minimum
default torque wall time of 30 minutes was being used for jobs.

-----Original Message-----
>From: Bernard Li <bli at bcgsc.ca>
>Sent: Feb 7, 2006 2:58 PM
>To: "Steven A. DuChene" <linux-clusters at mindspring.com>, torqueusers at supercluster.org
>Subject: RE: [torqueusers] Materials Studio and wallclock time
>Did they explain why this number is hardcoded and set at initial
>configuration?  Wouldn't walltime vary depending on the job?  Also, why
>are they limiting walltime?  Shouldn't that be up to the user and/or
>restrictions set by the workload manager?
>> -----Original Message-----
>> From: torqueusers-bounces at supercluster.org 
>> [mailto:torqueusers-bounces at supercluster.org] On Behalf Of 
>> Steven A. DuChene
>> Sent: Tuesday, February 07, 2006 11:49
>> To: torqueusers at supercluster.org
>> Subject: [torqueusers] Materials Studio and wallclock time
>> Discovered the hard way that Materials Studio has a default wall clock
>> time for jobs it is running through a queuing system. There is no way
>> for a user submiting a MS job to request a different wall 
>> clock time on
>> a per job basis according to the information supplied by the Accelrys
>> support folks. I requested that they make some change to their system
>> that WOULD allow a user coming in from their GUI to request different
>> values for wall clock time on a per job basis. As it is right 
>> now they are
>> teling me I have to bump up the value hard coded into one of 
>> their setup
>> scripts which will make every MS job run with an artificially 
>> large wall
>> clock time. ARGH! 
>> Their response was that while they filed this as an 
>> enhancement request
>> that they don't actually implement enhancement requests like 
>> this unless
>> they see the need or similar request from a number of customers.
>> I find this sort of response frustrating but I thought I 
>> would pass it along
>> since I know there are other folks here using Materials 
>> Studio with clusters
>> managed with torque/maui/moab.
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