On Tue, Apr 10, 2012, David Condon wrote:
> thanks much for your prompt reply! For some bizarre reason, even on short
> re-runs the error is reproduced.
>
> The restart runs are in sequence:
>
> -rw-r--r-- 1 dave dave 252901 2012-04-10 08:33 New/1.rst
> > -rw-r--r-- 1 dave dave 252901 2012-04-10 08:33 New/2.rst
> > -rw-r--r-- 1 dave dave 252901 2012-04-10 08:33 New/3.rst
> > -rw-r--r-- 1 dave dave 245309 2012-04-10 12:59 New/4.rst
> >
> It looks like I will just have to wait until the 4th MD run finishes.
How did you run the above test? Did you (say) kill the job in the middle
of the 4th run? the 5th run? Can you say more precisely what you mean by
"wait until the 4th MD run finishes"? If you could give exact details of
how the error can be reproduced (for a short run!) that would be very helpful
in trying to track down its source. [Also, do you get the same or different
behavior with sander vs. pmemd?]
...thanks for your help....dac
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Received on Tue Apr 10 2012 - 13:30:04 PDT
