[gmx-users] Assembly codes

Manoj justkewlguy at yahoo.com
Thu Feb 17 22:11:53 CET 2005


I am trying to modify LJ potential in such a way that
I need to make certain changes in the way gromacs
calculates LJ interactions. I only need to edit a few
lines and add a few 'if' statements in the inl0100 and
inl3030 which is fine as long as I stick to
"innerc.c". I can successfully change the "innerc.c"
code and use it after disabling assembly loops. 

However, without assembly loops, the code runs
significantly slower. My question is, how are these
files i.e. x86_sse.s and x86_sse2.s generated ? I
figured out some stuff about the intel-syntax assembly
code and the NASM format. Is there an easy way to do
this? does anyone actually write this? If not, then
what are the utilities to do this? 

Could anyone please let me know how to generate these
assembly codes (x86_sse.s & x86_sse2.s) ?

Besides, is there a way to implement WCA potential
(solute-solute & solute-solvent) in gromacs?

Thanks in advance.


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