Re: [AMBER] MMPBSA Job Parallel Running

From: Kenneth Huang <>
Date: Mon, 11 Jan 2016 17:10:35 -0500


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.



On Mon, Jan 11, 2016 at 2:29 PM, Guqin Shi <> 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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Received on Mon Jan 11 2016 - 14:30:03 PST
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