On Sun, Jul 16, 2017, Pooja Kesari wrote:
>
> We are installing CUDA-enabled Amber11 on ubuntu (
Here's my suggestions:
1. Download AmberTools17 and install it in a directory tree under "amber16".
If you have trouble finding X11 libraries, add the "-noX11" flag to the
configure line.
2. If you are unable to upgrade to Amber16, then compile just pmemd
and/or pmemd.cuda under the amber11 directory tree. Again, use the "-noX11"
flag if needed: the cuda version makes no use of X11 libraries, but the
configure script complains anyway.
Be aware that Amber11 is now 6 years old, and that is a very long time
in the GPU world. Release 8 of nvcc was not even a gleam in NVIDIA's
eye when Amber11 was written, and Amber11 makes no use of the many
improvements in GPUs since then. Note also that fee waivers may be available
for Amber16: see the web page for details.
....dac
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Received on Sun Jul 16 2017 - 10:30:05 PDT
