[gmx-users] building GROMACS 4.5.4 on Power6 with CMAKE
Mark.Abraham at anu.edu.au
Fri Sep 9 09:57:52 CEST 2011
On 9/09/2011 5:50 PM, Marcin Zielinski wrote:
> Hi Mark,
> Yes, GMX_ACCELERATION should do the trick, however it requires You to
> turn off the THREADS.
> Altho ppl tend to run the tools in serial anyway, I somehow sticked to
Only mdrun takes advantage of parallelism in GROMACS up to now. So the
non-threads requirement is moot for a build focused on the tools.
> As for the FindLAPACK.cmake fix, I'm pretty sure I has been posted
> here some time ago. I googled it
> Would be handy If I could put my hands on some benchmarking suit so
> that I could test this given
> setup on my own and compare it to the build with POWER6 included (and
> without THREADS). Should I
> see some boost in the speed in execution time?
Probably nothing much. There is no up-to-date benchmark suite.
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