Hi Kenneth,
I think my problem is exactly the same as what you'd had. It happened on
different platforms so it might be a minor issue for mmpbsa.MPI itself.
It's not a big problem, though. Thank you for your reply!
Best,
Guqin
2016-01-11 17:10 GMT-05:00 Kenneth Huang <kennethneltharion.gmail.com>:
> Hi,
>
> Are you certain that the job has finished running? It might still be
> writing to the disk- does the output or log file show that it's done? If it
> is, it might be an issue with the cluster itself so it might be worth
> asking whoever is in charge of it- I've had situations where my job was
> still shown to be 'running', even though nothing was actually being run.
>
> Best,
>
> Kenneth
>
> On Mon, Jan 11, 2016 at 2:29 PM, Guqin Shi <shi.293.osu.edu> wrote:
>
> > Hi all,
> >
> > I've been running mmpbsa job parallel on a super computer center.
> > Everything went well and apparently I've seen the Frames and Decomp dat
> > files are all written and finished (all the frames have been written).
> What
> > confuses me is that the job is still running when checking thru qstat.
> > However, I didn't find any files that is being updated. Of course, I can
> > manually kill the job but I am wondering what is behind... Anyway to
> check
> > it to see if there's something real running...?
> >
> > Thank you all!
> > Guqin
> >
> > --
> > Guqin SHI
> > The Ohio State University
> > College of Pharmacy
> > 500 W. 12th Ave.
> > Columbus, OH, 43210
> > (614)688-3531
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> >
>
>
>
> --
> Ask yourselves, all of you, what power would hell have if those imprisoned
> here could not dream of heaven?
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Guqin SHI
The Ohio State University
College of Pharmacy
500 W. 12th Ave.
Columbus, OH, 43210
(614)688-3531
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Received on Wed Jan 13 2016 - 08:00:04 PST
