[gmx-developers] combine neighborlist

Sikandar Mashayak mashayak at votca.org
Thu Jun 25 01:06:26 CEST 2015


I want to use pairlist with M = 4 and N = 4 i and j cluster sizes. I
understand, that with OpenMP threads enabled, gromacs builds ntomp, i.e.,
nthreads, neighborlists. I understand, for 8*8*8 kernel type, these
neighborlists are combined and superclusters are built.

I am wondering, is there a way to combine all the nthreads neighborlist
into one for simple 4*4 type neighborlist?

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