[gmx-users] why not double precision?

Albert mailmd2011 at gmail.com
Mon Oct 22 09:32:23 CEST 2012


I found that the GPU version doesn't support double precison.

double precision build

$ cmake -DGMX_DOUBLE=ON ../gromacs-src

Note that GPU acceleration is not compatible with double precision builds.

I am just wondering why. I am trying to turn the GPU and double ON at 
the same time, but the GPU doesn't compiled. Is it possible to solve 
this issue?

thank you very much

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