Hi,
Where I've gotten is to: /src/gmxlib/nonbonded/nonbonded.c which
calls the machine specific kernels. I am more than willing to work
through this myself, but can anybody point me to a good book/site
that explains what is actually going on when Gromacs looks up
these forces?
Try reading src/gmxlib/nonbonded/nb_kernel/nb_kernel310_c.c This is
auto-generated code, so it isn't commented, but it illustrates the
table lookups in non-optimized code.
If you execute "./mknb -comments" in that directory you'll get plenty
of comments in the kernel source files!
Cheers,
Erik
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