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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