[gmx-users] documentation, GPU, 4.6-manual

michael.b mbx0009 at yahoo.com
Sun Feb 10 10:25:23 CET 2013


i just downloaded the 4.6. manual.
It seems as if in there the documentation of the GPU code and its
usage are still those for 4.5, and i believe that this has changed
considerably between the two versions.

Has anybody found documentation about the most current GPU

In particular I would like to know whether i can combine:
i) free energy calculations
ii) user defined tabulated  potentials
iii) a combination of i and ii
with execution on GPUs?


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