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.
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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>
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Received on Fri Feb 08 2013 - 22:00:03 PST
