Hi,
I've been able to install Amber on Windows11/WSL2 with CUDA with no issue.
The only different is that I installed CUDA manually (
https://developer.nvidia.com/cuda-11-4-4-download-archive?target_os=Linux&target_arch=x86_64&Distribution=WSL-Ubuntu&target_version=2.0&target_type=runfile_local)
into a subdirectory of my home directory and set the environment variables
CUDA_HOME, PATH, and LD_LIBRARY_PATH, e.g.
export CUDA_HOME=<path_to_cuda>
export LD_LIBRARY_PATH=<path_to_cuda>/lib64:$LD_LIBRARY_PATH
export PATH=<path_to_cuda>/bin:$PATH
With those set all I had to do is pass -DCUDA=TRUE to cmake and it was
picked up just fine.
-Dan
On Wed, Mar 2, 2022 at 4:28 PM Charlotta Lebedenko <clebedenko.fordham.edu>
wrote:
> Hello,
>
> I am still struggling with this same issue during installation. I was
> hoping someone who has installed Amber with CUDA support on Windows before
> using WSL2 could offer some advice?
>
> Thank you,
> Charlotta Lebedenko
>
> >
> > On Feb 28, 2022, at 13:04, Charlotta Lebedenko <clebedenko.fordham.edu>
> wrote:
> >
> >
> > Dear Amber support,
> >
> > We are trying to install Amber20 and Ambertools21 with CUDA support on
> Windows 10 21H2 using WSL2 with ubuntu. We see this cmake error:
> > -- Could NOT find CUDA (missing: CUDA_CUDART_LIBRARY) (found version
> "11.4")
> > CMake Error at cmake/CudaConfig.cmake:15 (message):
> > You turned on CUDA, but it was not found. Please set the
> > CUDA_TOOLKIT_ROOT_DIR option to your CUDA install directory.
> > Call Stack (most recent call first):
> > CMakeLists.txt:120 (include)
> >
> > nvcc is installed at: /usr/local/cuda-11.4/bin/nvcc
> > CUDA toolkit is installed into a standard location /usr/local/cuda:
> > ls -l /usr/local
> > total 36
> > drwxrwxr-x 2 root root 4096 Feb 28 11:49 bin
> > lrwxrwxrwx 1 root root 22 Feb 28 11:49 cuda -> /etc/alternatives/cuda
> > lrwxrwxrwx 1 root root 25 Feb 28 11:49 cuda-11 ->
> /etc/alternatives/cuda-11
> > drwxr-xr-x 17 root root 4096 Feb 28 11:49 cuda-11.4
> >
> > ls -l /etc/alternatives
> > lrwxrwxrwx 1 root root 20 Feb 28 11:49 cuda -> /usr/local/cuda-11.4
> > lrwxrwxrwx 1 root root 20 Feb 28 11:49 cuda-11 -> /usr/local/cuda-11.4
> >
> > We set export CUDA_HOME=/usr/local/cuda-11.4
> >
> > We added this to run_cmake to point to CUDA toolkit and cudart library:
> > -DCUDA=TRUE -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-11.4
> -DCUDA_CUDART_LIBRARY=/usr/local/cuda-11.4/targets/x86_64-linux/lib/libcudart.so
>
> >
> > We still see the error above. What else can we try?
> >
> > We installed CUDA driver and toolkit following these instructions:
> > CUDA on WSL :: CUDA Toolkit Documentation (nvidia.com)
> >
> > Thank you,
> > Charlotta Lebedenko
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Received on Thu Mar 03 2022 - 07:00:02 PST
