[gmx-users] Re: rebuild makefiles for gromacs?

[Erik Lindahl]

On Friday, Mar 14, 2003, at 06:47 US/Pacific, Fan Hao wrote:

>> The assembly loops are enabled automatically on x86, unless you turn
>> them off with --disable-x86-asm.
>>
>> Assembly versions are used for the most important loops (_sse on
>> Pentium and Athlon XP, _3dnow on old Athlons), but there are a couple
>> of cases (like buckingham) where we have to use C loops instead.
>
>    Thanks a lot, Eric. In this case, I think if I want to run my
> simulation on pc cluster with the inner loop modified, I have to
> change codes in x86_sse.s but not innerc.c in which the inl????()
> is for the C loop. In fact, I have recompile gmx with innerc.c changed
> by modifying the Makefile.am but the x86_sse.s is still the same.
> Would you please show me a way to have some modification in innerloop
> of simulation? Should I only use the C loop instead? Many thanks!
>

Unless you have experience of assembly programming I would definitely 
suggest doing it in C.

Use --disable-x86-asm to disable assembly loops, or set the environment 
variable NOASSEMBLYLOOPS before running.

Cheers,

Erik