[gmx-developers] Difference between kernels

Millad Ghane mghane at cs.uh.edu
Tue Nov 1 00:28:20 CET 2016

Hi all,

I have two questions regarding the kernels:

1- What is the difference between 4x4 and 8x8x8 kernels?
       (Does 4x4 means a 4 by 4 square of 16 particles and 8x8x8 means an 8
by 8 by 8 cube of 512 particles?)

2- What is the difference between PlainC and GPU/SIMD codes? I got that
plainC codes are focusing on running the computations on merely CPUs. But,
my question revolves around the fact that GPU/SIMD versions have some extra
kernels that I do not see in the plainC versions (like
nbnxn_kernel_ElecRF_VdwLJ_F_ref, nbnxn_kernel_ElecRF_VdwLJFsw_F_ref, ...).
        In other terms, my question is: is the output and functionality of
plainC versions equivalent to non-plainC version? What is the difference
between plainC and non-plainC versions of the kernel?

I would really appreciate it if you help me on these questions.

Best Regards,
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