On Thu, May 08, 2008, Smriti Sharma wrote:
>
> I too have noticed, similar discontinuity in my restart files as reported by
> Neil. As suggested by Dac in his previous mails, i tried to run short
> simulations as well as i tried to run parallel and serial jobs (as Neil
> suggested). Still that discontinuity is observed, i.e., running in serial as
> well as in parallel doesn't affect the results obtained.
Thanks for the report. Your experience seems to be in direct oppostion to
that reported by Neil Bruce:
> > > I've since tried a few tests and found that this problem only occurs
> > > when executing Sander in parallel, the serial code restarts as expected.
I'm hoping that someone on the list will have time to look at this soon.
I'm traveling a lot this month, so others will have to step in here.
...dac
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Received on Sun May 11 2008 - 06:07:32 PDT
