[gmx-developers] Branches w/working OpenCL support

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Mon Jun 1 21:55:01 CEST 2015


what I forgot to mention:

anything NVT ensemble will run fine in OpenCL, but
using any kind of pressure coupling the run will crash
immediately, or wildly fluctuate it's box size and
eventually crash. These systems run perfect using
cpu-only or the cuda version. This seems to affect
the nvidia opencl implementation, I can't remember
the AMD version crashed on these systems before
(but will check later).

M.



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