[gmx-users] Max nodes = 256 ?

[Justin A. Lemkul]

Chih-Ying Lin wrote:
> Hi
> So, which version of Gromacs is more reliable for compiling 1000 nodes now?
> And, which version with higher computation load per node = computation
> efficiency?
> 4.0
> 4.0.2
> 4.0.3
> 4.0.4
> 

If you're making this choice, always use the most up-to-date version of the 
software (4.0.5).  This way, you get the benefit of the most recent bug fixes 
and hence greater reliability.  As far as running on 1000 nodes, performance 
will be largely dictated by your hardware.  In my experience, there are no 
noticeable differences in speed between these minor releases.

-Justin

> 
> Thank you
> Lin
> 
> 
> 
> Chih-Ying Lin wrote:
>>
>>
>> Hi
>>
>> But, I could not compile more than 256 notes when I run the Gromacs.
>>
>> Have anyone experienced  compiling more than 1000 notes at one time?
>>
> Do you mean nodes?
> 
> There was a limit of 256 nodes in 3.2 or so, but in 4.0 there is no
> limit anymore.
>>
>> Thank you
>> Lin
>>
>>
>>
>>
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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