AMBER Archive (2009)

Subject: Re: [AMBER] multisander error

From: Justine Condo (j-shaw_at_northwestern.edu)
Date: Mon Jan 12 2009 - 16:39:44 CST

" getting new box info from bottom of inpcrd"
Is the last line of one of the output files. ?

On Mon, Jan 12, 2009 at 4:20 PM, Ross Walker <ross_at_rosswalker.co.uk> wrote:

> Hi Justine,
>
> > Running multisander version of sander amber9
> > Total processors = 4
> > Number of groups = 2
> >
> >...
> >
> > rank 2 in job 1 compute-0-19_48554 caused collective abort of all
> ranks
> > exit status of rank 2: killed by signal 9
>
> > I have no idea what is wrong and am hoping someone can assist me in this
> > detective work!
>
> There should be more output files than just this master sander.out log.
> Each
> group should have produced its own output and the error message that caused
> one of these groups to quit the calculation should be in its output file.
> These files would have been specified in the groupfile.
>
> All the best
> Ross
>
>
> /\
> \/
> |\oss Walker
>
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
> | http://www.rosswalker.co.uk | PGP Key available on request |
>
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-- 
-*****************************
Justine Shaw-Condo -Ph.D. Candidate
Ratner and Meade Groups
Department of Chemistry
Northwestern University
Office: 4039 Nano
Phone: 847 467 4991
Email: j-shaw_at_northwestern.edu
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