Hi,
On Sun, Mar 6, 2022 at 6:26 PM Alexis Azucena <agazucena.up.edu.ph> wrote:
> 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
Actually cuda will work just fine under wsl2; I have it working on my
laptop (see also
https://developer.nvidia.com/cuda/wsl). The issue here is that cmake is not
picking up cuda for some reason.
.Charlotta, are you able to compile/run any cuda code at all? Maybe the
devicequery sample from cuda?
-Dan
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=
> > >> >
> > >> _______________________________________________
> > >> 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=
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> --
> Alexis Azucena
>
> Instructor
>
> School of Technology | University of the Philippines Visayas
> +639175841130
> agazucena.up.edu.ph
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Mar 07 2022 - 04:00:02 PST
