[AMBER] CUDART lib not found during install

From: Charlotta Lebedenko <clebedenko.fordham.edu>
Date: Mon, 28 Feb 2022 13:04:46 -0500

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)
<https://docs.nvidia.com/cuda/wsl-user-guide/index.html#:~:text=Launch%20the%20Linux%20distribution%20and%20make%20sure%20it,for%20the%20Linux%20distributions%20supported%20under%20WSL%202.>

Thank you,
Charlotta Lebedenko
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Received on Mon Feb 28 2022 - 10:30:03 PST
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