Re: namd at ranger(tacc)

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Thu Feb 24 2011 - 15:36:18 CST

/share/home/00288/tg455591/NAMD_scripts/runbatch_2.7 works for me on 2
nodes. It should be identical to the old 27b3 script but with a slightly
newer binary.

-Jim

On Thu, 24 Feb 2011, Lei Shi wrote:

> Has anyone run into problems like me to launch new namd jobs at ranger(tacc)
> in recent two days, using the namd described in (
> http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?NamdAtTexas)?
> My jobs quickly failed (the simulation system and qsub script have been
> working for months). The error message is like below, which does not tell
> much:
> ----------
> TACC: Starting up job 1833721
> TACC: Setting up parallel environment for MVAPICH ssh-based mpirun.
> TACC: Setup complete. Running job script.
> TACC: starting parallel tasks...
>
> Child exited abnormally!
> Killing remote processes...DONE
> TACC: MPI job exited with code: 1
> TACC: Shutting down parallel environment.
> TACC: Shutdown complete. Exiting.
> ---------
>
> I suspect there might be some recent changes of the "parallel environment",
> which are beyond my capability to detect. Can the guy(s) in charge of
> tg455591 help (e.g., run some tests)?
>
> Many Thanks!
> Lei
>

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