Thank you very much, Thomas! I'll try to clarify this. That could be
really the reason. I ran AMBER 8 on RedHat while Amber10 is installed on
SUSE with different ways of parallelization.
Best regards,
Sergey
steinbrt.rci.rutgers.edu wrote:
> Hi Sergey,
>
> I dont think any changes in when the output file is written have been
> introduced from amber 8 to 10. It still writes to .out whenever there is
> something to write. Is it possible that you are seeing some kind of
> OS-dependent buffering? Maybe there was a change in your cluster queueing
> system?
>
> Regards,
>
> Thomas
>
> On Tue, May 19, 2009 3:33 am, Sergey Samsonov wrote:
>
>> Dear AMBERs,
>>
>> I have AMBER 10 installed and it runs properly. Previously I used AMBER
>> 8 version and I found a difference in output writing: the whole output
>> file (.out) is written after the run is completed and not by each step
>> of writing. Is it possible to change so that I could look at output
>> file each ntpr number of steps as it was by default in AMBER 8?
>>
>> Thank you and best regards,
>>
>> Sergey
>>
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>>
>>
>
>
> Dr. Thomas Steinbrecher
> BioMaps Institute
> Rutgers University
> 610 Taylor Rd.
> Piscataway, NJ 08854
>
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Received on Wed May 20 2009 - 17:29:53 PDT
