Re: amber-developers: Testing Parallel

From: Scott Brozell <sbrozell.scripps.edu>
Date: Mon, 14 Apr 2008 13:04:41 -0700 (PDT)

Hi,

On Mon, 14 Apr 2008, Lachele Foley wrote:

> More fun with parallel tests: mostly FYI, but with questions. And apologies in advance for whatever I forgot to notice or check...
>
> Another issue for parallel testing with us is that the tests are run like so:
>
> =====start abbreviated pseudo-script=======
> set up some environment stuff and check sanity
> run the parallel job
> check the output for differences
> =====end abbreviated pseudo-script=======
>
> On our system, jobs go away to the scheduler by default (like running in the background). So, the tests frequently check for output that hasn't happened yet -- or, in the noesy case, delete the input file before the job runs. I can get the scheduler to run "in the foreground" (or "wait" or "block" -- choose your favorite terminology). But, I seem to be having a quote-character issue. Can someone who knows the shell better than me suggest a fix (SHELL is tcsh)?
>
> This works:
> [lachele.keats noesy]$ /opt/scali/bin/scasub -qsparams "-W block=true" -mpimon -network gm0,smp -np 2 -npn 2 $sander -O -i mdin -c 01.ann10.xyz -o noesy.out
> 44368.keats
>
> This doesn't:
> [lachele.keats noesy]$ echo $DO_PARALLEL
> /opt/scali/bin/scasub -qsparams "-W block=true" -mpimon -network gm0,smp -np 2 -npn 2
> [lachele.keats noesy]$ $DO_PARALLEL $sander -O -i mdin -c 01.ann10.xyz -o noesy.out
> qsub: script file:: No such file or directory
>
> I don't think using plain qsub is a good idea, either, but if someone wants to explore that option, say so. Brief reasons: qsub seems to want a separate script file (=rewrite tests) and scaMPI complains if not using scasub. Possibly can work around both, and happy to accept suggestions.
>

Your machine's queue situation seems odd.
Anyway, try
set echo
set verbose
then your two command invocations to see the differences.
My guess is that "-W block=true" -> '-W block=true'
might work and wont hurt.

Scott
Received on Fri Apr 18 2008 - 21:19:19 PDT
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