Instituto de Ciências Biológicas

UFMG - Universidade Federal de Minas Gerais

Ferramentas do usuário

Ferramentas do site


informatica:nvidia_rocky9

Instalando o driver de vídeo da Nvidia + Cuda + Gromacs

Rocky 9

 
echo instalando os kernels necessarios no rocky 9
sudo dnf update
sudo dnf install kernel-devel kernel-headers
 
echo adicionando os repositorios necessarios
sudo dnf config-manager --add-repo https://developer.download.nvidia.com/compute/cuda/repos/rhel9/x86_64/cuda-rhel9.repo
sudo dnf config-manager --set-enabled crb
sudo yum install epel-release
 
echo instalando o driver nvidia
sudo dnf module install nvidia-driver:latest-dkms
 
echo reiniciando
reboot

echo testando o driver nvidia
nvidia-smi

echo instalando o cuda
#sudo dnf install cuda-driver
sudo dnf install cuda-toolkit
echo instalacao do gromacs no rocky 9
dnf install gcc-toolset-12 cmake
wget https://ftp.gromacs.org/gromacs/gromacs-2024.3.tar.gz
tar xfz gromacs-2024.3.tar.gz
cd gromacs-2024.3
mkdir build
cd build
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=CUDA -DGMX_MPI=OFF -DGMX_USE_RDTSCP=OFF -DCMAKE_CUDA_COMPILER:PATH=/usr/local/cuda/bin/nvcc
make
make check
sudo make install

Ubuntu 24

echo instalando o driver nvidia no ubuntu 24
#sudo ubuntu-drivers install --gpgpu
sudo apt install nvidia-driver-550-server
sudo reboot
 
echo Remove Outdated Signing Key:
sudo apt-key del 7fa2af80
 
echo Install the new cuda-keyring package
#wget https://developer.download.nvidia.com/compute/cuda/repos/<distro>/<arch>/cuda-keyring_1.1-1_all.deb
wget https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/cuda-keyring_1.1-1_all.deb
sudo dpkg -i cuda-keyring_1.1-1_all.deb
 
echo Update the Apt repository cache:
sudo apt-get update
 
echo Install CUDA SDK:
sudo apt-get install cuda-toolkit
#echo To include all GDS packages:
#sudo apt-get install nvidia-gds
echo instalacao do gromacs no ubuntu24
sudo apt install cmake
wget https://ftp.gromacs.org/gromacs/gromacs-2024.4.tar.gz
tar xfz gromacs-2024.4.tar.gz
cd gromacs-2024.4
mkdir build
cd build
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=CUDA -DGMX_MPI=OFF -DGMX_USE_RDTSCP=OFF -DCMAKE_CUDA_COMPILER:PATH=/usr/local/cuda/bin/nvcc
make
make check
sudo make install
informatica/nvidia_rocky9.txt · Última modificação: 2024/11/28 15:58 por davidysson