• Se tiver instalando dentro de uma maquina virtual
  • Siga estes passos para adicionar a placa PCI da GPU + HDMI audio no hardware da VM
    • https://linuxcapable.com/how-to-install-nvidia-drivers-on-rocky-linux/
  • Se a maquina virtual for no ProxMOX
    • Ao criar a VM utilize o seguinte Processador: “Host”, Chipset Q35 e PCIe

 
echo instalando os kernels necessarios
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-toolkit cuda-driver

echo Baixando o gromacs
mkdir /opt/gromacs-2024.3-gpu
cd /opt/gromacs-2024.3-gpu
wget https://ftp.gromacs.org/gromacs/gromacs-2024.3.tar.gz
tar xvzf gromacs-2024.3.tar.gz
cd gromacs-2024.3
mkdir build-gpu
cd build-gpu

dnf install scl-utils
scl list-colletions


#sudo apt install gcc-11 g++-11 g++-12 gcc-12 g++-13 gcc-13 g++-14 gcc-14
 
#cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=CUDA -DGMX_MPI=OFF -DCMAKE_C_COMPILER=/usr/bin/gcc-12 -DCMAKE_CXX_COMPILER=/usr/bin/g++-12 -DCUDA_HOST_COMPILER=/usr/bin/nvcc -DGMX_USE_RDTSCP=OFF

cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=CUDA -DGMX_MPI=OFF -DCMAKE_C_COMPILER=/usr/bin/gcc-12 -DCMAKE_CXX_COMPILER=/usr/bin/g++-12 -DGMX_USE_RDTSCP=OFF