Instituto de Ciências Biológicas

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====== Instalando o driver de vídeo da Nvidia + Cuda + Gromacs ======

  * 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

====== Rocky 9 ======

<code>
  
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 --add-repo http://developer.download.nvidia.com/compute/cuda/repos/rhel9/$(uname -i)/cuda-rhel9.repo
sudo dnf config-manager --set-enabled crb
sudo yum install epel-release
 
echo instalando os kernels necessarios no rocky 9
#sudo dnf update
#sudo dnf install kernel-headers-$(uname -r) kernel-devel-$(uname -r) tar bzip2 make automake gcc gcc-c++ pciutils elfutils-libelf-devel libglvnd-opengl libglvnd-glx libglvnd-devel acpid pkgconfig dkms
#sudo dnf install kernel-headers kernel-devel tar bzip2 make automake gcc gcc-c++ pciutils elfutils-libelf-devel libglvnd-opengl libglvnd-glx libglvnd-devel acpid pkgconfig dkms
sudo dnf install kernel-devel kernel-headers

echo procurando o driver (module) nvidia disponivel para instalacao
sudo dnf module list

echo instalando o driver nvidia
#sudo dnf module install nvidia-driver:open-dkms
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


</code>

<code>

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

</code>

====== Ubuntu 24 ======

<code>

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echo Remove Outdated Signing Key: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

</code>


<code>

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

</code>
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