Hello Charlotta,
I think it is impossible to run Amber with CUDA support using WSL2. WSL is
a virtual machine, so it cannot access the CUDA in Windows since it runs
with a DOS system. If you want to have CUDA support, you can opt to dual
boot your computer with Ubuntu or any Linux OS. There are installation
guidelines on the internet.
I hope this helps.
Cheers,
Alexis
On Mon, Mar 7, 2022 at 2:47 AM Charlotta Lebedenko <clebedenko.fordham.edu>
wrote:
> Hello,
>
> Unfortunately I am still facing this problem with amber installation on
> windows. I am not sure how to resolve it. Does anyone have any advice about
> cmake and cuda?
>
> Thank you,
> Charlotta Lebedenko
>
>
>
> > On Mar 3, 2022, at 15:30, Charlotta Lebedenko <clebedenko.fordham.edu>
> wrote:
> >
> >
> > Hello,
> >
> > Thank you for the advice. We tried these steps and we are still getting
> the same error. We are doing this on Windows 10, not Windows 11. So maybe
> there is a problem there.
> > We set -DCUDA_TOOLKIT_ROOT_DIR and CUDA_HOME to cuda home directory. We
> probably need help from someone who understands Cmake.
> >
> > Here is the error again:
> >
> > -- Amber source found, building AmberTools and Amber
> > -- 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)
> >
> > We also set:
> >
> -DCUDA_CUDART_LIBRARY=/usr/local/cuda-11.4/targets/x86_64-linux/lib/libcudart.so.11.4.43
> >
> > Our cmake command is:
> > cmake $AMBER_PREFIX/amber20_src \
> > -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber20 \
> > -DCOMPILER=GNU -DBUILD_QUICK=TRUE \
> > -DMPI=FALSE -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.11.4.43
> -DINSTALL_TESTS=TRUE \
> > -DDOWNLOAD_MINICONDA=TRUE -DMINICONDA_USE_PY3=TRUE \
> > 2>&1 | tee cmake.log
> >
> > Thank you,
> > Charlotta Lebedenko
> >
> >
> >
> >> On Thu, Mar 3, 2022 at 9:32 AM Daniel Roe <daniel.r.roe.gmail.com>
> wrote:
> >> 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://urldefense.proofpoint.com/v2/url?u=https-3A__developer.nvidia.com_cuda-2D11-2D4-2D4-2Ddownload-2Darchive-3Ftarget-5Fos-3DLinux-26target-5Farch-3Dx86-5F64-26Distribution-3DWSL-2DUbuntu-26target-5Fversion-3D2.0-26target-5Ftype-3Drunfile-5Flocal&d=DwIGaQ&c=aqMfXOEvEJQh2iQMCb7Wy8l0sPnURkcqADc2guUW8IM&r=jOIeI-lTF_2GutlqJUB8jwla6pUZ7k5EeNYDA2RM36A&m=LxDU4uEY3ByKgpRHV5eDbVEPCIZYsLumYeEsQtFAup467V5dapkwob69zo1tel2k&s=iswwSnDzYx_pohoZpVrttYR7-lmM39JF1-6fEZHyMwc&e=
> )
> >> 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
> >> > _______________________________________________
> >> > AMBER mailing list
> >> > AMBER.ambermd.org
> >> >
> https://urldefense.proofpoint.com/v2/url?u=http-3A__lists.ambermd.org_mailman_listinfo_amber&d=DwIGaQ&c=aqMfXOEvEJQh2iQMCb7Wy8l0sPnURkcqADc2guUW8IM&r=jOIeI-lTF_2GutlqJUB8jwla6pUZ7k5EeNYDA2RM36A&m=LxDU4uEY3ByKgpRHV5eDbVEPCIZYsLumYeEsQtFAup467V5dapkwob69zo1tel2k&s=Qt2CnTbykcS2KFNj_kieGCGm35YDQhDwppdlYm1Vya0&e=
> >> >
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> >>
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>
--
Alexis Azucena
Instructor
School of Technology | University of the Philippines Visayas
+639175841130
agazucena.up.edu.ph
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Received on Sun Mar 06 2022 - 15:30:02 PST
