Thank you very much.
Sajeewa
On Sat, Feb 9, 2013 at 11:45 AM, Jason Swails <jason.swails.gmail.com>wrote:
> On Sat, Feb 9, 2013 at 12:30 AM, Sajeewa Pemasinghe <sajeewasp.gmail.com
> >wrote:
>
> > Yeah it had been a problem with compiler mismatch. Now it is running
> > fine.One last question. The contents of the rem.log is NOT dynamically
> > updated
> > right? Will the contents be written to it when thw whole calculation is
> > over? coz although there is a em.log file, currently it is empty.
> >
>
> This depends on the file system (and perhaps operating system as well --
> I'm not sure of everything that is responsible for file writing behavior).
> Many file writes are buffered -- that is, data is written to a chunk of
> memory and stored until one of two things happens:
>
> 1) The buffer fills up so the buffer empties into the file.
> 2) The buffer is forcibly flushed to the file. Most languages have a
> "flush" command to do this (although perhaps unreliably). Closing the file
> flushes the buffer as well.
>
> The file will be closed (and the buffer) flushed at the end of the file,
> but for long runs the buffer should fill up and flush at some point during
> the calculation. Note, though, if your simulation is killed before it
> finishes you may lose some data that was stored in the buffer and never
> flushed.
>
> HTH,
> Jason
>
>
> >
> > Thank you
> >
> > Sajeewa Dewage
> >
> > On Fri, Feb 8, 2013 at 4:37 PM, Sajeewa Pemasinghe <sajeewasp.gmail.com
> > >wrote:
> >
> > > Thank you very much. Now that I know where the problem lies, I will
> keep
> > > on working on that.
> > >
> > >
> > > On Fri, Feb 8, 2013 at 4:17 PM, Ross Walker <ross.rosswalker.co.uk>
> > wrote:
> > >
> > >> >know why it fails now. If there is a mismatching in MPIs above MD
> > >> >calculations should also have given errors right?
> > >>
> > >> Not necessarily - they would just run on 1 core. Have you checked the
> > >> output of your regular MD runs to see how many nodes sander reports it
> > is
> > >> using?
> > >>
> > >> All the best
> > >> Ross
> > >>
> > >> >
> > >>
> > >>
> > >>
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>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
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Received on Sat Feb 09 2013 - 09:30:02 PST
