Dear Jonathan,
>> is there a batch queue app that people use to run amber calculations on a
>> single machine?
>>
>> I am familiar with pbs/torque/moab for clusters. But does anyone use or
>> has anyone built one for a single machine and use it to run amber
>> calculations?
>>
>> (I know someone built a simple one to run to run gamess calcs (gamessQ).
we used OpenPBS for running jobs through a queue in serial mode on a
server machine.
The setup was rather easy at that time, because OpenPBS was part of our
Linux distribution, at that time. We installed the complete package
(server, mom, scheduler) and had all services started at boot time.
Then, we used the machine for running local Amber jobs.
The pbs/torque/moab way should thus be feasible.
Regards,
Anselm
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Received on Fri Jun 01 2012 - 13:30:03 PDT
