Dear Amber Fans,
Could anybody confirm whether or not the nVidia GTX 460 chipset should work with Amber12? It's not on the list at
http://ambermd.org/gpus/#supported_gpus, which I presume is drawing a distinction between hardware revision/compute capability 2.1 vs 2.0 [e.g. for the GTX 465] per the guideline on that page. However, v2.1 *does* appear to provide double precision, and the GTX560 which *is* OK'd for Amber12 appears to actually be v2.1 as well (ref
https://developer.nvidia.com/cuda-gpus).
The problem is that my Amber12 jobs seem to die with no errors or explanation after about 30 ps on my GPU. This has happened for one of my runs, as well as one of the benchmark runs, which run fine (albeit slow, of course) on a single CPU.
I am trying to ascertain whether the GPU is to blame, and if so, whether a GTX560 (Ti) will actually get me going, or not.
Many Thanks!
John Gehman
University of Melbourne
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Received on Mon Mar 11 2013 - 00:00:04 PDT
