[gmx-users] Supported features in Gromacs on GPU

Andrew DeYoung adeyoung at andrew.cmu.edu
Fri Jan 31 21:25:42 CET 2014

Hi Mark,

Thanks so much for your time in answering my questions.  It helped me a lot.

Andrew DeYoung
Carnegie Mellon University

These are all standard in 4.6. The GPU implementation there only does
non-bonded pair interactions, which affects none of the above. The
limitation in 4.5 was that the GPU did lots more parts of the computation,
and not all kinds of algorithms are amenable to that.


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