On Mon, Mar 7, 2022 at 6:49 AM Daniel Roe <daniel.r.roe.gmail.com> wrote:
> .Charlotta, are you able to compile/run any cuda code at all? Maybe the devicequery sample from cuda?
Specifically, try the following.
Change to the directory <cuda samples>//1_Utilities/deviceQuery
Build it (assuming CUDA_HOME is pointing to your CUDA install):
CUDA_PATH=$CUDA_HOME make
Run deviceQuery
You should hopefully get a Result = PASS at the end. If not, something
is wrong with the CUDA install.
-Dan
>
> -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=
>> > >> >
>> > >> _______________________________________________
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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 Mon Mar 07 2022 - 16:00:02 PST
