Gromacs on 7800 xt, windows 11 wsl 2

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GROMACS version: 2025.1
GROMACS modification: No
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Does someone know about how to run 7800 XT on WSL2 Windows 11? I’ve installed WSL2 on Windows 11 by using this Install Radeon software for WSL with ROCm — Use ROCm on Radeon GPUs, but rocminfo and clinfo are not detecting my GPU. I used amdgpu-install -y --usecase=wsl,rocm,opencl,hip --no-dkms, but is not working.

2

I will give you the step by step to install in linux. I think is the same when you are using WSL. Attempt to the GPU specification, versions of ROCm you are installing and the ubuntu version of your WSL.

GROMACS INSTALLATION - GPU AMD

sudo apt update

sudo apt upgrade -y

sudo apt install -y build-essential

ROCm

#taken from rocm documentation

sudo apt update

sudo apt install -y “linux-headers-(uname -r)" "linux-modules-extra-(uname -r)”

sudo apt install -y python3-setuptools python3-wheel

cd ~/Download

wget https://repo.radeon.com/amdgpu-install/6.3.4/ubuntu/noble/[amdgpu-install_6.3.60304-1_all.deb](https://repo.radeon.com/amdgpu-install/6.3.4/ubuntu/noble/amdgpu-install_6.3.60304-1_all.deb)

sudo apt install -y ./amdgpu-install_6.3.60304-1_all.deb

sudo apt update

sudo amdgpu-install -y --usecase=rocm, graphics, hip,opencl

sudo apt install amdgpu-dkms-firmware

Add the current user to the render and video groups

sudo usermod -a -G render,video $LOGNAME

sudo update-initramfs -u

reboot

group

rocminfo

sudo apt install -y rocm-llvm-dev

sudo apt install -y libboost-all-dev git cmake

AdaptiveCpp

cd ~/Download

git clone GitHub - AdaptiveCpp/AdaptiveCpp: Compiler for multiple programming models (SYCL, C++ standard parallelism, HIP/CUDA) for CPUs and GPUs from all vendors: The independent, community-driven compiler for C++-based heterogeneous programming models. Lets applications adapt themselves to all the hardware in the system - even at runtime!

cd AdaptiveCpp

mkdir build && cd build

sudo cmake .. \

-DCMAKE_INSTALL_PREFIX=/usr/local \

-DCMAKE_C_COMPILER=/opt/rocm-6.3.4/lib/llvm/bin/clang \

-DCMAKE_CXX_COMPILER=/opt/rocm-6.3.4/lib/llvm/bin/clang++ \

-DLLVM_DIR=/opt/rocm-6.3.4/lib/llvm/lib/cmake/llvm \

-DACPP_COMPILER_FEATURE_PROFILE=full \

-DWITH_ROCM_BACKEND=ON \

-DWITH_SSCP_COMPILER=OFF \

-DWITH_OPENCL_BACKEND=OFF \

-DWITH_LEVEL_ZERO_BACKEND=OFF \

-DWITH_CUDA_BACKEND=OFF \

-DDEFAULT_TARGETS=‘hip:gfx1101’

sudo make install

acpp-info

GROMACS 2025.1 INSTALL (LINUX-Ubuntu 24.04 | AMD Radeon RX 7700 XT/ RX 7800 XT)

cd ~/Download

wget ftp://ftp.gromacs.org/gromacs/gromacs-2025.1.tar.gz

tar xfz gromacs-2025.1.tar.gz

cd gromacs-2025.1

mkdir build

cd build

cmake .. \

-DGMX_BUILD_OWN_FFTW=ON \

-DREGRESSIONTEST_DOWNLOAD=ON \

-DCMAKE_C_COMPILER=/opt/rocm-6.3.4/lib/llvm/bin/clang \

-DCMAKE_CXX_COMPILER=/opt/rocm-6.3.4/lib/llvm/bin/clang++ \

-DGMX_GPU=SYCL \

-DGMX_SYCL=ACPP \

-DHIPSYCL_TARGETS=‘hip:gfx1101’\

-DGMX_GPU_FFT_LIBRARY=VkFFT \

-DGMX_ENABLE_AMD_RDNA_SUPPORT=ON \

-DGMX_GPU_NB_CLUSTER_SIZE=4 \

-DGMX_SIMD=AVX2_256 \

-DGMX_HWLOC=ON \

-DCMAKE_BUILD_TYPE=Release \

-DGMX_OPENMP=ON \

make -j$(nproc)

make check -j$(nproc)

sudo make install -j$(nproc)

source /usr/local/gromacs/bin/GMXRC

echo ‘export PATH=$PATH:/usr/local/gromacs/bin/’ >> ~/.bashrc