[gmx-developers] Kernel Reduction

Delon Levi delon.levi at gmail.com
Wed Apr 18 05:06:58 CEST 2007

I have a run of GROMACS that uses the following cores:
  nb_kernel110   nb_kernel111

All of these cores are basically running the same Coulombic/Van der Waals
kernel.   Sometimes there are 3 interactions in the inner loop calculated,
sometimes 9 (noted that with nb_kernel100 and nb_kernel101 van der Waals is
not calculated).  What I want to do is just call
nb_kernel110 (which does 1 interaction in the inner loop) and have the data
structures formatted so that only nb_kernel110 is called.  Is there a
relatively easy way to get the code to do this, or something equivalent
where 1 simple core is called?

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