CUDADIR and CUDA on Ubuntu 18.04

[Samuel Lotz]

Not sure if anyone else is having issues as well, but in Ubuntu 18.04 currently there is no NVIDIA build, however you can install a 'native' package. The difference being that native packages can no longer package all the pieces of CUDA in one directory e.g. /usr/local/cuda-9.0.

So my old OpenMM configuration of just specifying a CUDADIR is not working. Does anyone have a workaround or have any more insight into how OpenMM can recognize my CUDA installation?

[Peter Eastman]

How did you install CUDA?

[Samuel Lotz]

Code: Select all

sudo apt install nvidia-cuda-toolkit

[Peter Eastman]

The package you're installing does not come from NVIDIA, and it isn't a supported method of installing CUDA. See https://devtalk.nvidia.com/default/topi ... a-toolkit/. Instead you need to download it from NVIDIA and install it by following the instructions they provide: https://docs.nvidia.com/cuda/cuda-insta ... index.html

[Samuel Lotz]

Right which is why I'm asking on the forum to see if anyone had any ideas on making it work. There is no NVIDIA package for Ubuntu 18.04 yet, and I read elsewhere that there are conflicts and thus can't be made to work.

[Peter Eastman]

A quick web search turns up lots of people successfully installing CUDA on Ubuntu 18.04, many with detailed instructions.

https://www.howtoforge.com/tutorial/how ... untu-1804/
https://medium.com/@taylordenouden/inst ... a142325138
https://www.pugetsystems.com/labs/hpc/H ... 8-04-1184/