From: Chris Samuel (csamuel_at_vpac.org)
Date: Tue Apr 13 2004 - 20:47:46 CDT
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On Tue, 13 Apr 2004 04:28 am, Gengbin Zheng wrote:
> If you compiled MPI version, you can run NAMD just like a MPI program
> using mpirun typically, which normally is PBS friendly.
MPICH's mpirun uses rsh/ssh to launch jobs, which isn't allowed on their
cluster from the sound of it.
Their solution is to use mpiexec which directly calls Torque/PBS's tm (task
management) API to launch jobs. In our experience it lets the pbs_mom's have
tighter controls over MPI jobs and means you don't need to have to permit
user logins to the compute nodes. It also simplifies job scripts as it works
out itself how many nodes it's supposed to be using from what PBS tells it.
See this URL for more information about mpiexec.
Christopher Samuel - (03)9925 4751 - VPAC Systems & Network Admin
Victorian Partnership for Advanced Computing http://www.vpac.org/
Bldg 91, 110 Victoria Street, Carlton South, VIC 3053, Australia
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