[gmx-users] shuffle switch

Justin A. Lemkul jalemkul at vt.edu
Tue Aug 18 01:39:00 CEST 2009

Paymon Pirzadeh wrote:
> Hello,
> I have a quick question about "-shuffle" switch in grompp. Do we still
> need to apply this option in 4.0.5 when  we use parallel versions or
> not.

There is no such option in 4.0.5.  What's more, domain decomposition speeds up 
the calculations more than shuffling ever did.


> regards,
> Payman
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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


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