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,
>
At the end of the calculation*
My mistake.
> 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
>
--
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 - 09:30:03 PST
